CAS RN: 37046-69-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: C1C2CNC(C3=CC=CC=C31)C4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 37014-89-4
CAS Name: (E)-2-butenedioic acid; 4-phenyl-4-(phenylthio)butanoic acid 2-(dimethylamino)ethyl ester
OPENEYE Name: 2-(dimethylamino)ethyl 4-phenyl-4-phenylsulfanyl-butanoate; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(dimethylamino)ethyl 4-phenyl-4-phenylsulfanylbutanoate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(dimethylamino)ethyl 4-phenyl-4-phenylsulfanyl-butanoate
MOLECULAR FORMULA: C24H29NO6S
MOLECULAR WEIGHT: 459.55516
SMILES: CN(C)CCOC(=O)CCC(C1=CC=CC=C1)SC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 37014-81-6
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3,3-diphenyl-1-butanamine
OPENEYE Name: N,N-dimethyl-3,3-diphenyl-butan-1-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3,3-diphenylbutan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-3,3-diphenyl-butan-1-amine
MOLECULAR FORMULA: C22H27NO4
MOLECULAR WEIGHT: 369.45408
SMILES: CC(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 36998-72-8
CAS Name: (E)-1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-2-propen-1-one
OPENEYE Name: (E)-1-(1H-benzimidazol-2-yl)-3-(3-pyridyl)prop-2-en-1-one
IUPAC Name: (E)-1-(1H-benzimidazol-2-yl)-3-pyridin-3-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(1H-benzimidazol-2-yl)-3-pyridin-3-yl-prop-2-en-1-one
MOLECULAR FORMULA: C15H11N3O
MOLECULAR WEIGHT: 249.26734
SMILES: C1=CC=C2C(=C1)NC(=N2)C(=O)/C=C/C3=CN=CC=C3
Structure:
CAS RN: 36941-60-3
CAS Name: 5-chloro-1-methyl-2-[(E)-2-nitroethenyl]imidazole
OPENEYE Name: 5-chloro-1-methyl-2-[(E)-2-nitrovinyl]imidazole
IUPAC Name: 5-chloro-1-methyl-2-[(E)-2-nitroethenyl]imidazole
SYSTEMATIC NAME: 5-chloranyl-1-methyl-2-[(E)-2-nitroethenyl]imidazole
MOLECULAR FORMULA: C6H6ClN3O2
MOLECULAR WEIGHT: 187.58374
SMILES: CN1C(=CN=C1/C=C/[N+](=O)[O-])Cl
Structure:
CAS RN: 36913-71-0
CAS Name: (E)-2-butenedioic acid; 8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
OPENEYE Name: fumaric acid; 8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
IUPAC Name: (E)-but-2-enedioic acid; 8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
MOLECULAR FORMULA: C21H26N2O8S
MOLECULAR WEIGHT: 466.50474
SMILES: COC1=CC=CC2=C1OC(CO2)CN3CCC4(CC3)NC(=O)CS4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 36844-85-6
CAS Name: (E)-2-butenedioic acid; 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
OPENEYE Name: 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
MOLECULAR FORMULA: C21H26N2O7S
MOLECULAR WEIGHT: 450.50534
SMILES: C1CN(CCC12NC(=O)CS2)CCC3COC4=CC=CC=C4O3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 36844-72-1
CAS Name: (E)-2-butenedioic acid; 8-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
OPENEYE Name: 8-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 8-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-[(6-chloranyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
MOLECULAR FORMULA: C20H23ClN2O7S
MOLECULAR WEIGHT: 470.92382
SMILES: C1CN(CCC12NC(=O)CS2)CC3COC4=C(O3)C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 36576-73-5
CAS Name: (E)-2-butenedioic acid; 1-(9-oxo-4-bicyclo[3.3.1]nonanyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(9-oxo-4-bicyclo[3.3.1]nonanyl)-4-phenyl-piperidine-4-carboxylate; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; ethyl 1-(9-oxo-4-bicyclo[3.3.1]nonanyl)-4-phenylpiperidine-4-carboxylate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethyl 1-(9-oxidanylidene-4-bicyclo[3.3.1]nonanyl)-4-phenyl-piperidine-4-carboxylate
MOLECULAR FORMULA: C27H35NO7
MOLECULAR WEIGHT: 485.5693
SMILES: CCOC(=O)C1(CCN(CC1)C2CCC3CCCC2C3=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 36557-16-1
CAS Name: disodium 2-methoxy-4-[(1E,6E)-7-(3-methoxy-4-oxidophenyl)-3,5-dioxohepta-1,6-dienyl]phenolate
OPENEYE Name: disodium 2-methoxy-4-[(1E,6E)-7-(3-methoxy-4-oxido-phenyl)-3,5-dioxo-hepta-1,6-dienyl]phenolate
IUPAC Name: disodium 2-methoxy-4-[(1E,6E)-7-(3-methoxy-4-oxidophenyl)-3,5-dioxohepta-1,6-dienyl]phenolate
SYSTEMATIC NAME: disodium 2-methoxy-4-[(1E,6E)-7-(3-methoxy-4-oxidanidyl-phenyl)-3,5-bis(oxidanylidene)hepta-1,6-dienyl]phenolate
MOLECULAR FORMULA: C21H18Na2O6
MOLECULAR WEIGHT: 412.34356
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)[O-])OC)[O-].[Na+].[Na+]
Structure:
CAS RN: 36477-21-1
CAS Name: (E)-2-butenedioic acid; 1-(4-fluorophenyl)-3-methyl-4-(4-morpholinyl)-1-butanone
OPENEYE Name: 1-(4-fluorophenyl)-3-methyl-4-morpholino-butan-1-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(4-fluorophenyl)-3-methyl-4-morpholin-4-ylbutan-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(4-fluorophenyl)-3-methyl-4-morpholin-4-yl-butan-1-one
MOLECULAR FORMULA: C19H24FNO6
MOLECULAR WEIGHT: 381.395363
SMILES: CC(CC(=O)C1=CC=C(C=C1)F)CN2CCOCC2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 36436-00-7
CAS Name: (E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)but-3-en-2-one
IUPAC Name: (E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)but-3-en-2-one
MOLECULAR FORMULA: C18H26O2
MOLECULAR WEIGHT: 274.39784
SMILES: CC(=O)/C=C/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Structure:
CAS RN: 36271-64-4
CAS Name: (E)-1-[4-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-3-(4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-methoxyphenyl)-1-[4-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C29H32N2O4
MOLECULAR WEIGHT: 472.57538
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4)O
Structure:
CAS RN: 36174-44-4
CAS Name: (E)-3-phenyl-2-propenoic acid [1,2,5-trimethyl-5-(4-morpholinylmethyl)-4-phenyl-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [1,2,5-trimethyl-5-(morpholinomethyl)-4-phenyl-4-piperidyl] (E)-3-phenylprop-2-enoate dihydrochloride
IUPAC Name: [1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
SYSTEMATIC NAME: [1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenyl-piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
MOLECULAR FORMULA: C28H38Cl2N2O3
MOLECULAR WEIGHT: 521.51892
SMILES: CC1CC(C(CN1C)(C)CN2CCOCC2)(C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 36174-43-3
CAS Name: (E)-3-phenyl-2-propenoic acid [5-(1-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] (E)-3-phenylprop-2-enoate dihydrochloride
IUPAC Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
SYSTEMATIC NAME: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
MOLECULAR FORMULA: C30H42Cl2N2O2
MOLECULAR WEIGHT: 533.57268
SMILES: CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 36174-42-2
CAS Name: (E)-3-phenyl-2-propenoic acid [1,2,5-trimethyl-4-phenyl-5-(1-piperidinylmethyl)-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [1,2,5-trimethyl-4-phenyl-5-(1-piperidylmethyl)-4-piperidyl] (E)-3-phenylprop-2-enoate dihydrochloride
IUPAC Name: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
SYSTEMATIC NAME: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
MOLECULAR FORMULA: C29H40Cl2N2O2
MOLECULAR WEIGHT: 519.5461
SMILES: CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 36174-41-1
CAS Name: (E)-3-phenyl-2-propenoic acid [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidyl] (E)-3-phenylprop-2-enoate dihydrochloride
IUPAC Name: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
SYSTEMATIC NAME: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
MOLECULAR FORMULA: C32H48Cl2N2O2
MOLECULAR WEIGHT: 563.64172
SMILES: CCCCN(CCCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3)C)C)C.Cl.Cl
Structure:
CAS RN: 36174-40-0
CAS Name: (E)-3-phenyl-2-propenoic acid [5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidyl] (E)-3-phenylprop-2-enoate dihydrochloride
IUPAC Name: [5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
SYSTEMATIC NAME: [5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
MOLECULAR FORMULA: C30H44Cl2N2O2
MOLECULAR WEIGHT: 535.58856
SMILES: CCCN(CCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3)C)C)C.Cl.Cl
Structure:
CAS RN: 36174-39-7
CAS Name: (E)-2-methyl-3-phenyl-2-propenoic acid [5-(diethylaminomethyl)-1,2-dimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [5-(diethylaminomethyl)-1,2-dimethyl-4-phenyl-4-piperidyl] (E)-2-methyl-3-phenyl-prop-2-enoate dihydrochloride
IUPAC Name: [5-(diethylaminomethyl)-1,2-dimethyl-4-phenylpiperidin-4-yl] (E)-2-methyl-3-phenylprop-2-enoate dihydrochloride
SYSTEMATIC NAME: [5-(diethylaminomethyl)-1,2-dimethyl-4-phenyl-piperidin-4-yl] (E)-2-methyl-3-phenyl-prop-2-enoate dihydrochloride
MOLECULAR FORMULA: C28H40Cl2N2O2
MOLECULAR WEIGHT: 507.5354
SMILES: CCN(CC)CC1CN(C(CC1(C2=CC=CC=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C)C)C.Cl.Cl
Structure:
CAS RN: 36174-38-6
CAS Name: (E)-3-phenyl-2-propenoic acid [5-[(dimethylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [5-[(dimethylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidyl] (E)-3-phenylprop-2-enoate dihydrochloride
IUPAC Name: [5-[(dimethylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
SYSTEMATIC NAME: [5-[(dimethylamino)methyl]-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride
MOLECULAR FORMULA: C26H36Cl2N2O2
MOLECULAR WEIGHT: 479.48224
SMILES: CC1CC(C(CN1C)(C)CN(C)C)(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 36168-23-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H26ClNO6
MOLECULAR WEIGHT: 387.85514
SMILES: C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C.Cl
Structure:
CAS RN: 36115-53-4
CAS Name: (E)-3-(4-fluorophenyl)-1-[4-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-2-propen-1-one
OPENEYE Name: (E)-3-(4-fluorophenyl)-1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]prop-2-en-1-one
IUPAC Name: (E)-3-(4-fluorophenyl)-1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-fluorophenyl)-1-[4-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C28H29FN2O3
MOLECULAR WEIGHT: 460.539863
SMILES: C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)F)O)C4=CC=CC=C4
Structure:
CAS RN: 36083-82-6
CAS Name: butanoic acid [6-[[4-(dimethylamino)-5-hydroxy-6-[[(11Z,13E)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-(1-oxopropoxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(11Z,13E)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] butanoate
IUPAC Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(11Z,13E)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
SYSTEMATIC NAME: [6-[4-(dimethylamino)-6-[[(11Z,13E)-5-methoxy-9,16-dimethyl-2,10-bis(oxidanylidene)-7-(2-oxidanylideneethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] butanoate
MOLECULAR FORMULA: C42H67NO15
MOLECULAR WEIGHT: 825.97908
SMILES: CCCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(=O)/C=C\C=C\CC(OC(=O)CC(C3OC)OC(=O)CC)C)C)CC=O)C)C
Structure:
CAS RN: 36025-69-1
CAS Name: propanoic acid [(4R,5S,6S,7R,9R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-(1-oxopropoxy)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexade
OPENEYE Name: [(4R,5S,6S,7R,9R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohex
IUPAC Name: [(4R,5S,6S,7R,9R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] p
SYSTEMATIC NAME: [(4R,5S,6S,7R,9R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4-oxidanyl-5-propanoyloxy-oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2,10-bis(oxidanylidene)-7-(2-oxidanylideneethyl)-1-oxacyclo
MOLECULAR FORMULA: C41H65NO15
MOLECULAR WEIGHT: 811.9525
SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)C
Structure:
CAS RN: 35942-60-0
CAS Name: propanoic acid [(14E)-7-acetyloxy-9-[[4-(dimethylamino)-3-hydroxy-5-[[4-hydroxy-4,6-dimethyl-5-(1-oxopropoxy)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-13-yl] ester
OPENEYE Name: [(14E)-7-acetoxy-9-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxy-tetrahydropyran-2-yl)oxy-6-methyl-tetrahydropyran-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-13-yl] propanoate
IUPAC Name: [(14E)-7-acetyloxy-9-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-13-yl] propanoate
SYSTEMATIC NAME: [(14E)-7-acetyloxy-9-[4-(dimethylamino)-5-(4,6-dimethyl-4-oxidanyl-5-propanoyloxy-oxan-2-yl)oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-13-yl] propanoate
MOLECULAR FORMULA: C43H69NO17
MOLECULAR WEIGHT: 872.00446
SMILES: CCC(=O)OC1/C=C/C2C(O2)CC(OC(=O)CC(C(C(C(CC1C)CC=O)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC)(C)O)N(C)C)O)OC)OC(=O)C)C
Structure:
CAS RN: 35942-59-7
CAS Name: propanoic acid [(14E)-9-[[5-[(5-acetyloxy-4-hydroxy-4,6-dimethyl-2-oxanyl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-13-(1-oxopropoxy)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] ester
OPENEYE Name: [(14E)-9-[5-(5-acetoxy-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-13-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate
IUPAC Name: [(14E)-9-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-13-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate
SYSTEMATIC NAME: [(14E)-9-[5-(5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl)oxy-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-13-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate
MOLECULAR FORMULA: C43H69NO17
MOLECULAR WEIGHT: 872.00446
SMILES: CCC(=O)OC1CC(=O)OC(CC2C(O2)/C=C/C(C(CC(C(C1OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)C)(C)O)N(C)C)O)CC=O)C)OC(=O)CC)C
Structure:
CAS RN: 35942-57-5
CAS Name: propanoic acid [(14E)-9-[[5-[(5-acetyloxy-4-hydroxy-4,6-dimethyl-2-oxanyl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] ester
OPENEYE Name: [(14E)-9-[5-(5-acetoxy-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate
IUPAC Name: [(14E)-9-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate
SYSTEMATIC NAME: [(14E)-9-[5-(5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl)oxy-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8-methoxy-3,12-dimethyl-13-oxidanyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate
MOLECULAR FORMULA: C40H65NO16
MOLECULAR WEIGHT: 815.9412
SMILES: CCC(=O)OC1CC(=O)OC(CC2C(O2)/C=C/C(C(CC(C(C1OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)C)(C)O)N(C)C)O)CC=O)C)O)C
Structure:
CAS RN: 35942-56-4
CAS Name: propanoic acid [6-[[6-[[(14E)-7-acetyloxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(14E)-7-acetoxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] propanoate
IUPAC Name: [6-[6-[[(14E)-7-acetyloxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
SYSTEMATIC NAME: [6-[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-13-oxidanyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] propanoate
MOLECULAR FORMULA: C40H65NO16
MOLECULAR WEIGHT: 815.9412
SMILES: CCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(/C=C/C4C(O4)CC(OC(=O)CC(C3OC)OC(=O)C)C)O)C)CC=O)C)C
Structure:
CAS RN: 35908-45-3
CAS Name: 3-methylbutanoic acid [6-[[6-[[(14E)-7-acetyloxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(14E)-7-acetoxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate
IUPAC Name: [6-[6-[[(14E)-7-acetyloxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-13-oxidanyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutano
MOLECULAR FORMULA: C42H69NO16
MOLECULAR WEIGHT: 843.99436
SMILES: CC1CC(C(C(C(CC(=O)OC(CC2C(O2)/C=C/C1O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O
Structure:
CAS RN: 35908-44-2
CAS Name: 3-methylbutanoic acid [6-[[4-(dimethylamino)-5-hydroxy-6-[[(14E)-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-7-(1-oxopropoxy)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(14E)-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-7-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbuta
IUPAC Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(14E)-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-7-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[4-(dimethylamino)-6-[[(14E)-8-methoxy-3,12-dimethyl-13-oxidanyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-7-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbut
MOLECULAR FORMULA: C43H71NO16
MOLECULAR WEIGHT: 858.02094
SMILES: CCC(=O)OC1CC(=O)OC(CC2C(O2)/C=C/C(C(CC(C(C1OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O)C
Structure:
CAS RN: 35906-56-0
CAS Name: propanoic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-
OPENEYE Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexa
IUPAC Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] pr
SYSTEMATIC NAME: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacycloh
MOLECULAR FORMULA: C38H63NO14
MOLECULAR WEIGHT: 757.90512
SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O)C
Structure:
CAS RN: 39404-10-9
CAS Name: propanoic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-
OPENEYE Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexa
IUPAC Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] pr
SYSTEMATIC NAME: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacycloh
MOLECULAR FORMULA: C38H63NO14
MOLECULAR WEIGHT: 757.90512
SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O)C
Structure:
CAS RN: 42261-32-5
CAS Name: propanoic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-
OPENEYE Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexa
IUPAC Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] pr
SYSTEMATIC NAME: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacycloh
MOLECULAR FORMULA: C38H63NO14
MOLECULAR WEIGHT: 757.90512
SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O)C
Structure:
CAS RN: 43114-69-8
CAS Name: propanoic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-
OPENEYE Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexa
IUPAC Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] pr
SYSTEMATIC NAME: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacycloh
MOLECULAR FORMULA: C38H63NO14
MOLECULAR WEIGHT: 757.90512
SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O)C
Structure:
CAS RN: 35870-83-8
CAS Name: (E)-2-butenedioic acid; 9-[1-(diethylamino)propan-2-yl]-9-xanthenol
OPENEYE Name: 9-[2-(diethylamino)-1-methyl-ethyl]xanthen-9-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 9-[1-(diethylamino)propan-2-yl]xanthen-9-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 9-[1-(diethylamino)propan-2-yl]xanthen-9-ol
MOLECULAR FORMULA: C24H29NO6
MOLECULAR WEIGHT: 427.49016
SMILES: CCN(CC)CC(C)C1(C2=CC=CC=C2OC3=CC=CC=C31)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 35852-19-8
CAS Name: 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine oxide; (E)-2-butenedioic acid
OPENEYE Name: 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethyl-ethanamine oxide; fumaric acid
IUPAC Name: 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine oxide; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethyl-ethanamine oxide; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C27H37NO7
MOLECULAR WEIGHT: 487.58518
SMILES: CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)OCCOCC[N+](C)(C)[O-].C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 35780-44-0
CAS Name: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-propanol; (E)-2-methyl-2-butenedioic acid
OPENEYE Name: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; (E)-2-methylbut-2-enedioic acid
IUPAC Name: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; (E)-2-methylbut-2-enedioic acid
SYSTEMATIC NAME: 3-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; (E)-2-methylbut-2-enedioic acid
MOLECULAR FORMULA: C26H31ClN2O5S
MOLECULAR WEIGHT: 519.05274
SMILES: C/C(=C\C(=O)O)/C(=O)O.C1CN(CCN1CCCO)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl
Structure:
CAS RN: 35775-85-0
CAS Name: 3-methylbutanoic acid [6-[[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-13-(1-oxopropoxy)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(14E)-7-acetoxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-13-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbuta
IUPAC Name: [6-[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-13-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-13-propanoyloxy-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbu
MOLECULAR FORMULA: C45H73NO17
MOLECULAR WEIGHT: 900.05762
SMILES: CCC(=O)OC1/C=C/C2C(O2)CC(OC(=O)CC(C(C(C(CC1C)CC=O)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)OC)OC(=O)C)C
Structure:
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