[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-bis(fluoranyl)-17-(fluoranylmethylsulfanylcarbonyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-cyclohexylbutanoate

Systemtic Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-bis(fluoranyl)-17-(fluoranylmethylsulfanylcarbonyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-cyclohexylbutanoate Openeye Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-cyclohexylbutanoate CAS Name: 4-cyclohexylbutanoic acid [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-[(fluoromethylthio)-oxomethyl]-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-cyclohexylbutanoate Traditional Name: 4-cyclohexylbutyric acid [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylthio)carbonyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C32H43F3O5S MolecularWeight: 596.74103

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)CCCC5CCCCC5)C)O)F)C)F

Isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)CCCC5CCCCC5)C)O)F)C)F

InChI

InChI=1S/C32H43F3O5S/c1-19-14-22-23-16-25(34)24-15-21(36)12-13-29(24,2)31(23,35)26(37)17-30(22,3)32(19,28(39)41-18-33)40-27(38)11-7-10-20-8-5-4-6-9-20/h12-13,15,19-20,22-23,25-26,37H,4-11,14,16-18H2,1-3H3/t19-,22+,23+,25+,26+,29+,30+,31+,32+/m1/s1