CAS RN: 38123-21-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H61N3O13
MOLECULAR WEIGHT: 839.96744
SMILES: CCN(CC)N(C)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
Structure:
CAS RN: 17607-47-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H63N3O13
MOLECULAR WEIGHT: 853.99402
SMILES: CCCCN(C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)N(C)C
Structure:
CAS RN: 17607-49-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H61N3O13
MOLECULAR WEIGHT: 839.96744
SMILES: CCCN(C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)N(C)C
Structure:
CAS RN: 35950-55-1
CAS Name: 2-bromo-5-[(E)-2-bromo-2-nitroethenyl]furan
OPENEYE Name: 2-bromo-5-[(E)-2-bromo-2-nitro-vinyl]furan
IUPAC Name: 2-bromo-5-[(E)-2-bromo-2-nitroethenyl]furan
SYSTEMATIC NAME: 2-bromanyl-5-[(E)-2-bromanyl-2-nitro-ethenyl]furan
MOLECULAR FORMULA: C6H3Br2NO3
MOLECULAR WEIGHT: 296.90092
SMILES: C1=C(OC(=C1)Br)/C=C(\[N+](=O)[O-])/Br
Structure:
CAS RN: 56964-36-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H60N4O12
MOLECULAR WEIGHT: 848.9775
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)CC=C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 134699-93-7
CAS Name: 5-[(E)-2-bromoethenyl]-1-[4-hydroxy-5-(hydroxymethyl)-2-thiolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[(E)-2-bromovinyl]-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-2-bromanylethenyl]-1-[5-(hydroxymethyl)-4-oxidanyl-thiolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H13BrN2O4S
MOLECULAR WEIGHT: 349.20092
SMILES: C1C(C(SC1N2C=C(C(=O)NC2=O)/C=C/Br)CO)O
Structure:
CAS RN: 79592-92-0
CAS Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[(2R,3R,4R,5R,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5R,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-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-
IUPAC Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5R,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-d
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5R,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-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxac
MOLECULAR FORMULA: C38H63NO13
MOLECULAR WEIGHT: 741.90572
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)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)\C)CO
Structure:
CAS RN: 50657-33-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H50ClN3O11
MOLECULAR WEIGHT: 736.2487
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/C(C3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)N(C)C(=O)C(C)C)C)O)\C)OC)(NC(=O)O2)O
Structure:
CAS RN: 38997-10-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H50ClN3O10
MOLECULAR WEIGHT: 720.2493
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)N(C)C(=O)C(C)C)C)\C)OC)(NC(=O)O2)O
Structure:
CAS RN: 38997-09-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H48ClN3O10
MOLECULAR WEIGHT: 706.22272
SMILES: CCC(=O)N(C)C(C)C(=O)O[C@H]1CC(=O)N(C2=C(C(=CC(=C2)C/C(=C/C=C/[C@H]([C@]3(C[C@@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)OC)Cl)C
Structure:
CAS RN: 54356-09-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N2O12
MOLECULAR WEIGHT: 794.92682
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C(=C2)N4CCCC4C(C)O)C5=C(C(=C3O)C)O[C@@](C5=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)/C
Structure:
CAS RN: 100227-57-4
CAS Name: (3R,7Z,9S,12E,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-7-methoxy-3,9,13-trimethyl-11-methylene-1-oxacyclotetradeca-7,12-diene-2,4-dione
OPENEYE Name: (3R,7Z,9S,12E,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-7-methoxy-3,9,13-trimethyl-11-methylene-1-oxacyclotetradeca-7,12-diene-2,4-dione
IUPAC Name: (3R,7Z,9S,12E,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-7-methoxy-3,9,13-trimethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione
SYSTEMATIC NAME: (3R,7Z,9S,12E,14S)-14-ethyl-5-(hydroxymethyl)-7-methoxy-3,9,13-trimethyl-11-methylidene-5-oxidanyl-1-oxacyclotetradeca-7,12-diene-2,4-dione
MOLECULAR FORMULA: C21H32O6
MOLECULAR WEIGHT: 380.47518
SMILES: CC[C@H]1/C(=C/C(=C)C[C@@H](/C=C(/CC(C(=O)[C@H](C(=O)O1)C)(CO)O)\OC)C)/C
Structure:
CAS RN: 17555-58-7
CAS Name: acetic acid [(2R,3R,4R,5R)-2-[(2R,3S,4S,5E,7Z)-3-hydroxy-9-[(5-hydroxy-2,4-dimethyl-6,9-dioxo-7-benzo[e]benzofuranyl)amino]-4,8-dimethyl-9-oxonona-5,7-dien-2-yl]-3,5-dimethyl-6-(2-oxoethyl)-4-oxanyl] ester
OPENEYE Name: [(2R,3R,4R,5R)-2-[(1R,2S,3S,4E,6Z)-2-hydroxy-8-[(5-hydroxy-2,4-dimethyl-6,9-dioxo-benzo[e]benzofuran-7-yl)amino]-1,3,7-trimethyl-8-oxo-octa-4,6-dienyl]-3,5-dimethyl-6-(2-oxoethyl)tetrahydropyran-4-yl] acetate
IUPAC Name: [(2R,3R,4R,5R)-2-[(2R,3S,4S,5E,7Z)-3-hydroxy-9-[(5-hydroxy-2,4-dimethyl-6,9-dioxobenzo[e][1]benzofuran-7-yl)amino]-4,8-dimethyl-9-oxonona-5,7-dien-2-yl]-3,5-dimethyl-6-(2-oxoethyl)oxan-4-yl] acetate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-2-[(2R,3S,4S,5E,7Z)-9-[[2,4-dimethyl-5-oxidanyl-6,9-bis(oxidanylidene)benzo[e][1]benzofuran-7-yl]amino]-4,8-dimethyl-3-oxidanyl-9-oxidanylidene-nona-5,7-dien-2-yl]-3,5-dimethyl-6-(2-oxidanylideneethyl)oxan-4-yl] ethanoate
MOLECULAR FORMULA: C36H43NO10
MOLECULAR WEIGHT: 649.72732
SMILES: C[C@H]1[C@@H]([C@@H](C(O[C@@H]1[C@H](C)[C@H]([C@@H](C)/C=C/C=C(/C)\C(=O)NC2=CC(=O)C3=C4C=C(OC4=C(C(=C3C2=O)O)C)C)O)CC=O)C)OC(=O)C
Structure:
CAS RN: 179041-27-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C57H98O24
MOLECULAR WEIGHT: 1167.37362
SMILES: CCCCC(=O)OC1CC(OC(C1O)C)OC(C)C(C)C(C(C)C(C(C)C2C(C3C(O3)C(CCCC(CC(C[C@@H]4C[C@@H]([C@H]([C@](O4)(CC(C(CCC(CC(CC(C/C=C/C(=O)O2)O)O)O)C)O)O)O)O)O)OC(=O)CC(=O)O)O)C)O)O
Structure:
CAS RN: 154170-71-5
CAS Name: (7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-2-benzopyran-6-one
OPENEYE Name: (7R,8R)-8-acetonyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8H-isochromen-6-one
IUPAC Name: (7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one
SYSTEMATIC NAME: (7R,8R)-5-chloranyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-7-oxidanyl-8-(2-oxidanylidenepropyl)-8H-isochromen-6-one
MOLECULAR FORMULA: C22H27ClO4
MOLECULAR WEIGHT: 390.90038
SMILES: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]([C@@H](C2=CO1)CC(=O)C)(C)O)Cl
Structure:
CAS RN: 154037-52-2
CAS Name: (6aR,9R,9aR)-9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h][2]benzopyran-6,8-dione
OPENEYE Name: (6aR,9R,9aR)-9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
IUPAC Name: (6aR,9R,9aR)-9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
SYSTEMATIC NAME: (6aR,9R,9aR)-5-chloranyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-9-ethanoyl-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
MOLECULAR FORMULA: C23H25ClO5
MOLECULAR WEIGHT: 416.8946
SMILES: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]3([C@@H](C2=CO1)[C@@H](C(=O)O3)C(=O)C)C)Cl
Structure:
CAS RN: 83643-94-1
CAS Name: (2S,3R,4S,5S,6R)-2-[2-hydroxy-4-[(E)-5-[3-hydroxy-4-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[2-hydroxy-4-[(E)-5-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-[2-hydroxy-4-[(E)-5-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-5-[4-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-phenyl]pent-1-en-4-ynyl]-2-oxidanyl-phenoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C29H34O14
MOLECULAR WEIGHT: 606.57186
SMILES: C1=CC(=C(C=C1/C=C/CC#CC2=CC(=C(C=C2)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 74131-08-1
CAS Name: 5-[(E)-2-chloroethenyl]-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[(E)-2-chlorovinyl]-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-[(E)-2-chloroethenyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-2-chloranylethenyl]-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H13ClN2O5
MOLECULAR WEIGHT: 288.68432
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)/C=C/Cl)CO)O
Structure:
CAS RN: 16783-97-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H45NO12
MOLECULAR WEIGHT: 683.742
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C(=C2C=O)O)O)/C
Structure:
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