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

Systemtic Name: [(1R)-1-[(2R,3S,5S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3-bis(oxidanyl)-6-oxidanylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate Openeye Name: [(1R)-1-[(2R,3S,5S,8S,9S,10R,13S,14S,17S)-2,3-dihydroxy-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] 2,2,3,3,4,4,4-heptafluorobutanoate CAS Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid [(1R)-1-[(2R,3S,5S,8S,9S,10R,13S,14S,17S)-2,3-dihydroxy-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] ester IUPAC Name: [(1R)-1-[(2R,3S,5S,8S,9S,10R,13S,14S,17S)-2,3-dihydroxy-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] 2,2,3,3,4,4,4-heptafluorobutanoate Traditional Name: 2,2,3,3,4,4,4-heptafluorobutyric acid [(1R)-1-[(2R,3S,5S,8S,9S,10R,13S,14S,17S)-2,3-dihydroxy-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] ester Formula: C25H33F7O5 MolecularWeight: 546.515342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)OC(=O)C(C(C(F)(F)F)(F)F)(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(C[C@H]([C@H](C4)O)O)C)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C25H33F7O5/c1-11(37-20(36)23(26,27)24(28,29)25(30,31)32)13-4-5-14-12-8-17(33)16-9-18(34)19(35)10-22(16,3)15(12)6-7-21(13,14)2/h11-16,18-19,34-35H,4-10H2,1-3H3/t11-,12+,13-,14+,15+,16-,18+,19-,21-,22-/m1/s1