Wednesday, August 3, 2011

All Chemical Compounds Information



Product OPENEYE NAME: [(3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
CAS Name: acetic acid [(3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
IUPAC NAME: [(3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [(3S,10S,13R,14S,16S,17R)-3-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C32H48O9
MOLECULAR WEIGHT: 576.71812
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3(C(C2)CCC4C3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
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Product OPENEYE NAME: [(3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
CAS Name: acetic acid [(3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
IUPAC NAME: [(3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [(3S,10S,13R,14S,16S,17R)-3-[(2R,4R,5R,6R)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C32H48O9
MOLECULAR WEIGHT: 576.71812
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3(C(C2)CCC4C3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
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Product OPENEYE NAME: 5-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
CAS Name: 5-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
IUPAC NAME: 5-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,5R,10S,13R,14S,16S,17R)-10,13-dimethyl-3,14,16-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H34O5
MOLECULAR WEIGHT: 402.52376
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=COC(=O)C=C5)O)O)C)O
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Product OPENEYE NAME: 5-[(3R,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
CAS Name: 5-[(3R,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
IUPAC NAME: 5-[(3R,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3R,5R,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H34O4
MOLECULAR WEIGHT: 386.52436
SMILES: C[C@]12CC[C@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O
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Product OPENEYE NAME: 5-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
CAS Name: 5-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
IUPAC NAME: 5-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H34O4
MOLECULAR WEIGHT: 386.52436
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O
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Product OPENEYE NAME: 5-[(3S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
CAS Name: 5-[(3S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
IUPAC NAME: 5-[(3S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,10R,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5=C[C@H](CC[C@]35C)O
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MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O
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Product OPENEYE NAME: (8S,9R,10S,13S,14S,17S)-9-fluoro-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
CAS Name: (8S,9R,10S,13S,14S,17S)-9-fluoro-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
IUPAC NAME: (8S,9R,10S,13S,14S,17S)-9-fluoro-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (8S,9R,10S,13S,14S,17S)-9-fluoranyl-10,13,17-trimethyl-17-oxidanyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
MOLECULAR FORMULA: C20H27FO3
MOLECULAR WEIGHT: 334.424983
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2(C(=O)C[C@]4([C@H]3CC[C@]4(C)O)C)F
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MOLECULAR FORMULA: C12H8Cl6
MOLECULAR WEIGHT: 364.90992
SMILES: C1[C@H]2C=C[C@H]1[C@H]3[C@@H]2[C@@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
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MOLECULAR FORMULA: C34H53NO10
MOLECULAR WEIGHT: 635.78532
SMILES: CCC(C)C(=O)O[C@H]1[C@@H](C2C(CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)C4[C@@]1(C5[C@@H](CC6[C@]7([C@]5(C4)O[C@@]6([C@H](CC7)OC(=O)C)O)C)O)O)O
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Product OPENEYE NAME: (3S,5S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
CAS Name: (3S,5S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
IUPAC NAME: (3S,5S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,5S,10S,13R,14S,17R)-13-methyl-3,5,14-tris(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C24H32O6
MOLECULAR WEIGHT: 416.50728
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O
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Product OPENEYE NAME: 5-[(3S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
CAS Name: 5-[(3S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
IUPAC NAME: 5-[(3S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,10R,13R,14S,17R)-10,13-dimethyl-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-14-oxidanyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C30H42O8
MOLECULAR WEIGHT: 530.64968
SMILES: CC1C(C(C(C(O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
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Product OPENEYE NAME: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5R,10S,13R,14S,17R)-3-[[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5R)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O8
MOLECULAR WEIGHT: 534.68144
SMILES: CC1[C@H](C(C([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O
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Product OPENEYE NAME: 3-[(3R,5S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3R,5S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3R,5S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3R,5S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H34O4
MOLECULAR WEIGHT: 374.51366
SMILES: C[C@]12CC[C@H](C[C@@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
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Product OPENEYE NAME: 6-(dimethylamino)-5-methyl-4,4-diphenyl-hexan-3-one
CAS Name: 6-(dimethylamino)-5-methyl-4,4-diphenyl-3-hexanone
IUPAC NAME: 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one
SYSTEMATIC NAME: 6-(dimethylamino)-5-methyl-4,4-diphenyl-hexan-3-one
MOLECULAR FORMULA: C21H27NO
MOLECULAR WEIGHT: 309.44518
SMILES: CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C
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MOLECULAR FORMULA: C22H30N2O2
MOLECULAR WEIGHT: 354.4858
SMILES: CC[C@]12CCCN3[C@H]1C4(CC3)[C@@H](CC2)N(C5=C4C=CC=C5OC)C(=O)C
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MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: CO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
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MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: CC(=O)OC1=CCC2C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3C
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Product OPENEYE NAME: 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenyl-acetamide hydrochloride
CAS Name: 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide hydrochloride
IUPAC NAME: 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide hydrochloride
SYSTEMATIC NAME: 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenyl-ethanamide hydrochloride
MOLECULAR FORMULA: C28H35ClN2O2
MOLECULAR WEIGHT: 467.0427
SMILES: CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)CCN(C)CCC3=CC=CC=C3.Cl
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Product OPENEYE NAME: 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenyl-acetamide
CAS Name: 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide
IUPAC NAME: 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide
SYSTEMATIC NAME: 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenyl-ethanamide
MOLECULAR FORMULA: C28H34N2O2
MOLECULAR WEIGHT: 430.58176
SMILES: CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)CCN(C)CCC3=CC=CC=C3
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