[(6S,9S,11S,16R,17R)-6,9-bis(fluoranyl)-17-(fluoranylmethylsulfanylcarbonyl)-16-methyl-11-oxidanyl-3-oxidanylidene-6,7,8,10,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate

Systemtic Name: [(6S,9S,11S,16R,17R)-6,9-bis(fluoranyl)-17-(fluoranylmethylsulfanylcarbonyl)-16-methyl-11-oxidanyl-3-oxidanylidene-6,7,8,10,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate Openeye Name: [(6S,9S,11S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-16-methyl-3-oxo-6,7,8,10,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [(6S,9S,11S,16R,17R)-6,9-difluoro-17-[(fluoromethylthio)-oxomethyl]-11-hydroxy-16-methyl-3-oxo-6,7,8,10,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(6S,9S,11S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-16-methyl-3-oxo-6,7,8,10,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [(6S,9S,11S,16R,17R)-6,9-difluoro-17-(fluoromethylthio)carbonyl-11-hydroxy-3-keto-16-methyl-6,7,8,10,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C25H25F3O6S MolecularWeight: 510.52261

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C=CC4C3(C(CC2C1(C(=O)SCF)OC(=O)C5=CC=CO5)O)F)F

Isomeric SMILES

C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=CC4[C@@]3([C@H](CC2[C@]1(C(=O)SCF)OC(=O)C5=CC=CO5)O)F)F

InChI

InChI=1S/C25H25F3O6S/c1-12-7-14-17-9-19(27)15-8-13(29)4-5-16(15)24(17,28)21(30)10-18(14)25(12,23(32)35-11-26)34-22(31)20-3-2-6-33-20/h2-6,8,12,14,16-19,21,30H,7,9-11H2,1H3/t12-,14?,16?,17?,18?,19+,21+,24-,25-/m1/s1