Wednesday, September 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: [2-[(6R,9R,10S,11S,13R,16R)-16-acetoxy-2-bromo-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,17-octahydrocyclopenta[a]phenanthren-16-yl]-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-[(6R,9R,10S,11S,13R,16R)-16-acetyloxy-2-bromo-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,17-octahydrocyclopenta[a]phenanthren-16-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[(6R,9R,10S,11S,13R,16R)-16-acetyloxy-2-bromo-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,17-octahydrocyclopenta[a]phenanthren-16-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(6R,9R,10S,11S,13R,16R)-16-acetyloxy-2-bromanyl-6,9-bis(fluoranyl)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,17-octahydrocyclopenta[a]phenanthren-16-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C25H29BrF2O7
MOLECULAR WEIGHT: 559.394366
SMILES: CC(=O)OCC(=O)[C@]1(CC2C3C[C@H](C4=CC(=O)C(=C[C@@]4([C@]3([C@H](C[C@@]2(C1)C)O)F)C)Br)F)OC(=O)C
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Product OPENEYE NAME: butyl 2-[(6S,10R,11S,13S,16R)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-acetate
CAS Name: 2-[(6S,10R,11S,13S,16R)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid butyl ester
IUPAC NAME: butyl 2-[(6S,10R,11S,13S,16R)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate
SYSTEMATIC NAME: butyl 2-[(6S,10R,11S,13S,16R)-6-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C26H35FO5
MOLECULAR WEIGHT: 446.551503
SMILES: CCCCOC(=O)C(=O)C1[C@@H](CC2[C@@]1(C[C@@H](C3C2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C
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Product OPENEYE NAME: (3Z,5R)-3-[(2E)-2-[(1R,7aR)-1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-fluoro-2-methylene-cyclohexanol
CAS Name: (3Z,5R)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-fluoro-2-methylene-1-cyclohexanol
IUPAC NAME: (3Z,5R)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-fluoro-2-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (3Z,5R)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-fluoranyl-2-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C27H43FO
MOLECULAR WEIGHT: 402.628123
SMILES: CC(C)CCCC(C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC(C3=C)O)F)C
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Product OPENEYE NAME: (3S)-17-(1,5-dimethylhexyl)-3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CAS Name: (3S)-3-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC NAME: (3S)-3-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3S)-3-fluoranyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C27H45F
MOLECULAR WEIGHT: 388.644603
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CC[C@@H](C4)F)C)C
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Product OPENEYE NAME: (3S,17S)-17-(1,5-dimethylhexyl)-17-fluoro-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
CAS Name: (3S,17S)-17-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S,17S)-17-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,17S)-17-fluoranyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H45FO
MOLECULAR WEIGHT: 404.644003
SMILES: CC(C)CCCC(C)[C@]1(CCC2C1(CCC3C2CC=C4C3(CC[C@@H](C4)O)C)C)F
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Product OPENEYE NAME: (3R)-17-(1,5-dimethylhexyl)-3-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CAS Name: (3R)-3-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
IUPAC NAME: (3R)-3-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3R)-3-fluoranyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C27H47F
MOLECULAR WEIGHT: 390.660483
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC[C@H](C4)F)C)C
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Product OPENEYE NAME: (3S)-17-(1,5-dimethylhexyl)-3-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CAS Name: (3S)-3-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
IUPAC NAME: (3S)-3-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3S)-3-fluoranyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C27H47F
MOLECULAR WEIGHT: 390.660483
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC[C@@H](C4)F)C)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C27H25BrF2O5
MOLECULAR WEIGHT: 547.385206
SMILES: C[C@@]12C=C[C@H]([C@@]3(C1[C@@H]([C@]45C3CC[C@](C4)(C(=C)C5)F)C(=O)OCC(=O)C6=CC=C(C=C6)Br)OC2=O)F
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C27H25BrF2O5
MOLECULAR WEIGHT: 547.385206
SMILES: C[C@@]12[C@H](C=C[C@@]3(C1[C@@H]([C@]45C3CC[C@](C4)(C(=C)C5)F)C(=O)OCC(=O)C6=CC=C(C=C6)Br)OC2=O)F
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Product OPENEYE NAME:
CAS Name:
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MOLECULAR FORMULA: C27H38F2O4
MOLECULAR WEIGHT: 464.585026
SMILES: C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(C(=O)[C@H]([C@]5(C4CCC6[C@@]5(CCC(=O)C6)C)F)F)C)C)OC1
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Product OPENEYE NAME: [2-[(6R,9R,10S,16S,17R)-6,9-difluoro-10,13,16-trimethyl-3,11-dioxo-17-propanoyloxy-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate
CAS Name: propanoic acid [2-[(6R,9R,10S,16S,17R)-6,9-difluoro-10,13,16-trimethyl-3,11-dioxo-17-(1-oxopropoxy)-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[(6R,9R,10S,16S,17R)-6,9-difluoro-10,13,16-trimethyl-3,11-dioxo-17-propanoyloxy-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
SYSTEMATIC NAME: [2-[(6R,9R,10S,16S,17R)-6,9-bis(fluoranyl)-10,13,16-trimethyl-3,11-bis(oxidanylidene)-17-propanoyloxy-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] propanoate
MOLECULAR FORMULA: C28H34F2O7
MOLECULAR WEIGHT: 520.562166
SMILES: CCC(=O)OCC(=O)[C@]1([C@H](CC2C1(CC(=O)[C@]3(C2C[C@H](C4=CC(=O)C=C[C@@]43C)F)F)C)C)OC(=O)CC
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C28H38F4O5
MOLECULAR WEIGHT: 530.591933
SMILES: C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(C(=O)[C@H]([C@]5(C4CCC6[C@@]5(CCC(=O)C6)C)OC(F)(F)F)F)C)C)OC1
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C28H40F4O5
MOLECULAR WEIGHT: 532.607813
SMILES: C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3([C@@H]([C@H]([C@]5(C4CCC6[C@@]5(CCC(=O)C6)C)OC(F)(F)F)F)O)C)C)OC1
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MOLECULAR FORMULA: C28H42F4O5
MOLECULAR WEIGHT: 534.623693
SMILES: C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3([C@@H]([C@H]([C@]5(C4CCC6[C@@]5(CC[C@@H](C6)O)C)OC(F)(F)F)F)O)C)C)OC1
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Product OPENEYE NAME: dicyclohexyl-(2-dicyclohexylphosphanyl-3,3,4,4-tetrafluoro-cyclobuten-1-yl)phosphane
CAS Name: dicyclohexyl-(2-dicyclohexylphosphino-3,3,4,4-tetrafluoro-1-cyclobutenyl)phosphine
IUPAC NAME: dicyclohexyl-(2-dicyclohexylphosphanyl-3,3,4,4-tetrafluorocyclobuten-1-yl)phosphane
SYSTEMATIC NAME: dicyclohexyl-[2-dicyclohexylphosphanyl-3,3,4,4-tetrakis(fluoranyl)cyclobuten-1-yl]phosphane
MOLECULAR FORMULA: C28H44F4P2
MOLECULAR WEIGHT: 518.590095
SMILES: C1CCC(CC1)P(C2CCCCC2)C3=C(C(C3(F)F)(F)F)P(C4CCCCC4)C5CCCCC5
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Product OPENEYE NAME: (1R,2S,3R,4S)-2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene
CAS Name: (1R,2S,3R,4S)-2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene
IUPAC NAME: (1R,2S,3R,4S)-2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene
SYSTEMATIC NAME: (1R,2S,3R,4S)-2,3-bis(fluoranyl)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene
MOLECULAR FORMULA: C9H6F8
MOLECULAR WEIGHT: 266.131166
SMILES: C1[C@@H]2C=C[C@H]1[C@@]([C@@]2(C(F)(F)F)F)(C(F)(F)F)F
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Product OPENEYE NAME: (1R,2R,3S,4S)-2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene
CAS Name: (1R,2R,3S,4S)-2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene
IUPAC NAME: (1R,2R,3S,4S)-2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene
SYSTEMATIC NAME: (1R,2R,3S,4S)-2,3-bis(fluoranyl)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene
MOLECULAR FORMULA: C9H6F8
MOLECULAR WEIGHT: 266.131166
SMILES: C1[C@@H]2C=C[C@H]1[C@]([C@]2(C(F)(F)F)F)(C(F)(F)F)F
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Product OPENEYE NAME: trifluoro-phenyl-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-$l^{5}-phosphane
CAS Name: trifluoro-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-phenylphosphorane
IUPAC NAME: trifluoro-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-phenyl-$l^{5}-phosphane
SYSTEMATIC NAME: tris(fluoranyl)-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yloxy]-phenyl-$l^{5}-phosphane
MOLECULAR FORMULA: C9H6F9OP
MOLECULAR WEIGHT: 332.10273
SMILES: C1=CC=C(C=C1)P(OC(C(F)(F)F)C(F)(F)F)(F)(F)F
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Product OPENEYE NAME: 6-methyl-2,4,6-tris(trifluoromethyl)tetrahydropyran-2,4-diol
CAS Name: 6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol
IUPAC NAME: 6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol
SYSTEMATIC NAME: 6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol
MOLECULAR FORMULA: C9H9F9O3
MOLECULAR WEIGHT: 336.151589
SMILES: CC1(CC(CC(O1)(C(F)(F)F)O)(C(F)(F)F)O)C(F)(F)F
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