(6S,8S,9R,10S,13S,14S,17R)-6,9-bis(fluoranyl)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Systemtic Name: (6S,8S,9R,10S,13S,14S,17R)-6,9-bis(fluoranyl)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Openeye Name: (6S,8S,9R,10S,13S,14S,17R)-6,9-difluoro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid CAS Name: (6S,8S,9R,10S,13S,14S,17R)-6,9-difluoro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid IUPAC Name: (6S,8S,9R,10S,13S,14S,17R)-6,9-difluoro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Traditional Name: (6S,8S,9R,10S,13S,14S,17R)-6,9-difluoro-17-hydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Formula: C20H24F2O3S MolecularWeight: 382.464566

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3(C(C1CCC2(C(=O)S)O)CC(C4=CC(=O)C=CC43C)F)F

Isomeric SMILES

C[C@]12CC[C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)S)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F

InChI

InChI=1S/C20H24F2O3S/c1-17-5-3-11(23)9-14(17)15(21)10-13-12-4-6-20(25,16(24)26)18(12,2)7-8-19(13,17)22/h3,5,9,12-13,15,25H,4,6-8,10H2,1-2H3,(H,24,26)/t12-,13-,15-,17-,18-,19+,20-/m0/s1