[(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] 1-methylcyclobutane-1-carboxylate

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] 1-methylcyclobutane-1-carboxylate 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] 1-methylcyclobutanecarboxylate CAS Name: 1-methyl-1-cyclobutanecarboxylic 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] 1-methylcyclobutane-1-carboxylate Traditional Name: 1-methylcyclobutanecarboxylic 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: C28H35F3O5S MolecularWeight: 540.63471

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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)C5(CCC5)C)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)C5(CCC5)C)C)O)F)C)F

InChI

InChI=1S/C28H35F3O5S/c1-15-10-17-18-12-20(30)19-11-16(32)6-9-25(19,3)27(18,31)21(33)13-26(17,4)28(15,23(35)37-14-29)36-22(34)24(2)7-5-8-24/h6,9,11,15,17-18,20-21,33H,5,7-8,10,12-14H2,1-4H3/t15-,17+,18+,20+,21+,25+,26+,27+,28+/m1/s1