CAS RN: 67526-94-7
CAS Name: hexanoic acid [(3R,3aS,4S,6S,7R)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methyl-1-oxobut-2-enoxy]-2-oxo-4-(1-oxobutoxy)-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] ester
OPENEYE Name: [(3R,3aS,4S,6S,7R)-6-acetoxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate
IUPAC Name: [(3R,3aS,4S,6S,7R)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate
SYSTEMATIC NAME: [(3R,3aS,4S,6S,7R)-6-acetyloxy-4-butanoyloxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate
MOLECULAR FORMULA: C32H46O12
MOLECULAR WEIGHT: 622.70044
SMILES: CCCCCC(=O)O[C@@H]1C2C(=C(C1OC(=O)/C(=C/C)/C)C)C3[C@@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@@](C(=O)O3)(C)O)O
Structure:
CAS RN: 63968-64-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 282.33218
SMILES: C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3C24[C@H]1CCC(O3)(OO4)C)C
Structure:
CAS RN: 60032-56-6
CAS Name: benzenesulfonate; 2-[1-(2-pyridinylmethyl)-1-pyrrolidin-1-iumyl]acetonitrile
OPENEYE Name: benzenesulfonate; 2-[1-(2-pyridylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile
IUPAC Name: benzenesulfonate; 2-[1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile
SYSTEMATIC NAME: benzenesulfonate; 2-[1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]ethanenitrile
MOLECULAR FORMULA: C18H21N3O3S
MOLECULAR WEIGHT: 359.44264
SMILES: C1CC[N+](C1)(CC#N)CC2=CC=CC=N2.C1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 70993-79-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32O10
MOLECULAR WEIGHT: 492.51558
SMILES: C/C=C(\C)/C(=O)O[C@@H]1[C@H]2C(=CC(=O)[C@H]([C@@]2([C@@H]3[C@@]45[C@@H]1OC(=O)[C@@H]([C@H]4[C@H]([C@H](C3(OC5)O)O)C)O)C)O)C
Structure:
CAS RN: 50335-03-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H36N2O5
MOLECULAR WEIGHT: 528.63864
SMILES: C[C@H]\1C/C=C/C2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C
Structure:
CAS RN: 87081-35-4
CAS Name: (2E,10E,12E,16E,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
OPENEYE Name: (2E,10E,12E,16E,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxo-nonadeca-2,10,12,16,18-pentaenoic acid
IUPAC Name: (2E,10E,12E,16E,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
SYSTEMATIC NAME: (2E,10E,12E,16E,18E)-17-ethyl-3,5,7,9,11,15-hexamethyl-19-(3-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-6-oxidanyl-8-oxidanylidene-nonadeca-2,10,12,16,18-pentaenoic acid
MOLECULAR FORMULA: C33H48O6
MOLECULAR WEIGHT: 540.73062
SMILES: CC/C(=C\C(C)C/C=C/C(=C/C(C)C(=O)C(C)C(C(C)C/C(=C/C(=O)O)/C)O)/C)/C=C/C1C(C=CC(=O)O1)C
Structure:
CAS RN: 95732-45-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26O10
MOLECULAR WEIGHT: 462.44654
SMILES: C[C@H]1[C@@H]2C[C@@H]3[C@@]45COC([C@@H]4[C@H](C(=O)O3)O)([C@H]([C@@H]([C@@H]5[C@]2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC
Structure:
CAS RN: 106153-36-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C80H111N3O34
MOLECULAR WEIGHT: 1658.73704
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2(C)N=O)OC3C(OC(CC3O)O[C@H]4[C@H](C[C@@H]5CC6=C7C(=C(C=C6[C@]4(O5)C)O)C(=O)C8=C(C9=C(C=C8C7=O)[C@H]([C@](C[C@@H]9OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC(=O)/C(=C/C(=O)O)/C)OC)(C)N=O)O)O)(C)O)C(=O)OC)O)N(C)C)C)
Structure:
CAS RN: 99524-25-1
CAS Name: 3,6a,7,12-tetrahydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylic acid methyl ester
OPENEYE Name: methyl 3,6a,7,12-tetrahydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
IUPAC Name: methyl 3,6a,7,12-tetrahydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
SYSTEMATIC NAME: methyl 8,10a-dimethoxy-1-methyl-3,6a,7,12-tetrakis(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate
MOLECULAR FORMULA: C23H20O11
MOLECULAR WEIGHT: 472.3983
SMILES: CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4(C(=O)C=C(C(C4(C3=O)O)O)OC)OC)O)C(=O)OC
Structure:
CAS RN: 18693-27-1
CAS Name: 8-(4,5-dihydroxy-7-methyl-9,10-dioxo-1-anthracenyl)-1,4,5-trihydroxy-2-methylanthracene-9,10-dione
OPENEYE Name: 8-(4,5-dihydroxy-7-methyl-9,10-dioxo-1-anthryl)-1,4,5-trihydroxy-2-methyl-anthracene-9,10-dione
IUPAC Name: 8-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)-1,4,5-trihydroxy-2-methylanthracene-9,10-dione
SYSTEMATIC NAME: 2-methyl-8-[7-methyl-4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]-1,4,5-tris(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C30H18O9
MOLECULAR WEIGHT: 522.45852
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O
Structure:
CAS RN: 78472-10-3
CAS Name: 2-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
OPENEYE Name: 2-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
IUPAC Name: 2-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
SYSTEMATIC NAME: 4-methoxy-2-oxidanyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
MOLECULAR FORMULA: C7H8O4
MOLECULAR WEIGHT: 156.13602
SMILES: COC1=CC(C2C(C1=O)O2)O
Structure:
CAS RN: 74565-25-6
CAS Name: (2S,3R,4S)-3-ethenyl-4-[[(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-oxanyl]methyl]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,3R,4S)-4-[[(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxo-tetrahydropyran-2-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate
IUPAC Name: methyl (2S,3R,4S)-3-ethenyl-4-[[(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxooxan-2-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
SYSTEMATIC NAME: methyl (2S,3R,4S)-3-ethenyl-2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[[(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxidanylidene-oxan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxylate
MOLECULAR FORMULA: C29H38O12
MOLECULAR WEIGHT: 578.60482
SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2CC(=O)C[C@@H](O2)CCC3=CC=C(C=C3)O)C=C)OC4C(C(C(C(O4)CO)O)O)O
Structure:
CAS RN: 76429-00-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H88O21
MOLECULAR WEIGHT: 1073.26392
SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4C=C[C@@]67[C@]5(CC[C@@]8([C@H]6CC(CC8)(C)C)CO7)C)C)C)COC9C(C(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O)O
Structure:
CAS RN: 81382-09-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H32N4O8
MOLECULAR WEIGHT: 564.58638
SMILES: CC1=C(C(=O)C2=C(C1=O)C[C@H]3[C@H]4C5=C(C[C@H](N4C)[C@@H](N3[C@H]2CNC(=O)C(C)O)C#N)C(=O)C(=C(C5=O)OC)C)OC
Structure:
CAS RN: 82373-02-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22INO3
MOLECULAR WEIGHT: 439.28735
SMILES: C[N+]1(CCC2=C3[C@H]1[C@H](OC3=C(C=C2)OC)C4=CC=C(C=C4)O)C.[I-]
Structure:
CAS RN: 51559-33-2
CAS Name: 7-[(Z)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-1-benzopyran-2-one
OPENEYE Name: 7-[(Z)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
IUPAC Name: 7-[(Z)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
SYSTEMATIC NAME: 7-[(Z)-3-methyl-4-(4-methyl-5-oxidanylidene-2H-furan-2-yl)but-2-enoxy]chromen-2-one
MOLECULAR FORMULA: C19H18O5
MOLECULAR WEIGHT: 326.34322
SMILES: CC1=CC(OC1=O)C/C(=C\COC2=CC3=C(C=C2)C=CC(=O)O3)/C
Structure:
CAS RN: 2152-59-2
CAS Name: 1-hydroxy-3,6-bis(2-methylpropyl)-2-pyrazinone
OPENEYE Name: 1-hydroxy-3,6-diisobutyl-pyrazin-2-one
IUPAC Name: 1-hydroxy-3,6-bis(2-methylpropyl)pyrazin-2-one
SYSTEMATIC NAME: 3,6-bis(2-methylpropyl)-1-oxidanyl-pyrazin-2-one
MOLECULAR FORMULA: C12H20N2O2
MOLECULAR WEIGHT: 224.2994
SMILES: CC(C)CC1=CN=C(C(=O)N1O)CC(C)C
Structure:
CAS RN: 81988-76-3
CAS Name: (5R)-5-[6-(acetyloxymethyl)-3-hydroxy-4-[[5-hydroxy-4-methoxy-6-methyl-5-[(1R)-1-(2-methyl-1-oxopropoxy)ethyl]-2-oxanyl]oxy]-5-[(Z)-2-isothiocyanato-1-oxobut-2-enoxy]-2-oxanyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexenecarboxylic acid
OPENEYE Name: (5R)-5-[6-(acetoxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[(1R)-1-(2-methylpropanoyloxy)ethyl]tetrahydropyran-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-tetrahydropyran-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
IUPAC Name: (5R)-5-[6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[(1R)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid
SYSTEMATIC NAME: (5R)-5-[6-(acetyloxymethyl)-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-4-[4-methoxy-6-methyl-5-[(1R)-1-(2-methylpropanoyloxy)ethyl]-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]-2-azanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C33H44N2O17S
MOLECULAR WEIGHT: 772.77066
SMILES: C/C=C(/C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)([C@@H](C)OC(=O)C(C)C)O)OC)O)[C@@]3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)\N=C=S
Structure:
CAS RN: 83117-10-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H40O7
MOLECULAR WEIGHT: 476.6023
SMILES: CCCCCCC[C@@H]1[C@H]2[C@H]([C@H](C3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C
Structure:
CAS RN: 63972-31-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H24O10
MOLECULAR WEIGHT: 460.43066
SMILES: C[C@H]1C2=C(C3=C(C(=C2C[C@@H](O1)CC(=O)OC)O)C(=O)C4=C(C3=O)[C@]5([C@H](O[C@@H]4CC5O)C)O)O
Structure:
CAS RN: 76958-67-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22O8
MOLECULAR WEIGHT: 378.37318
SMILES: CC1C/C=C\C(=O)[C@H]2[C@H](O2)C[C@@H]([C@H](C3=CC(=CC(=C3C(=O)O1)O)OC)O)O
Structure:
CAS RN: 87376-88-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22O8
MOLECULAR WEIGHT: 390.38388
SMILES: C/C=C(/CO)\C(=O)O[C@@H]1CC2([C@@H](O2)[C@@H]3[C@@H](O3)/C(=C/[C@@H]4[C@@H]1C(=C)C(=O)O4)/C=O)C
Structure:
CAS RN: 88208-18-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O8
MOLECULAR WEIGHT: 392.39976
SMILES: C/C=C(/CO)\C(=O)O[C@@H]1CC2([C@@H](O2)[C@@H]3[C@@H](O3)/C(=C/[C@@H]4[C@@H]1C(=C)C(=O)O4)/CO)C
Structure:
No comments:
Post a Comment