[(2S,3R)-2-[(3R,5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-6-oxidanylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-4,4-bis(fluoranyl)-5-methyl-hexan-3-yl] ethanoate

Systemtic Name: [(2S,3R)-2-[(3R,5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-6-oxidanylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-4,4-bis(fluoranyl)-5-methyl-hexan-3-yl] ethanoate Openeye Name: [(1R)-2,2-difluoro-1-[(1S)-1-[(3R,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-butyl] acetate CAS Name: acetic acid [(2S,3R)-4,4-difluoro-2-[(3R,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-methylhexan-3-yl] ester IUPAC Name: [(2S,3R)-4,4-difluoro-2-[(3R,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-methylhexan-3-yl] acetate Traditional Name: acetic acid [(1R)-2,2-difluoro-1-[(1S)-1-[(3R,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-6-keto-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-butyl] ester Formula: C28H44F2O4 MolecularWeight: 482.643366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)OC(=O)C)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C28H44F2O4/c1-15(2)28(29,30)25(34-17(4)31)16(3)20-7-8-21-19-14-24(33)23-13-18(32)9-11-27(23,6)22(19)10-12-26(20,21)5/h15-16,18-23,25,32H,7-14H2,1-6H3/t16-,18+,19-,20+,21-,22-,23+,25+,26+,27+/m0/s1