(3R,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-oxidanyl-5-(trifluoromethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

Systemtic Name: (3R,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-oxidanyl-5-(trifluoromethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Openeye Name: (3R,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-4-hydroxy-1,5-dimethyl-4-(trifluoromethyl)hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol CAS Name: (3R,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-6-methyl-5-(trifluoromethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol IUPAC Name: (3R,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-6-methyl-5-(trifluoromethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Traditional Name: (3R,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-4-hydroxy-1,5-dimethyl-4-(trifluoromethyl)hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Formula: C28H47F3O3 MolecularWeight: 488.66619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47F3O3/c1-16(2)27(34,28(29,30)31)13-8-17(3)20-6-7-21-19-15-24(33)23-14-18(32)9-11-26(23,5)22(19)10-12-25(20,21)4/h16-24,32-34H,6-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+,25-,26-,27?/m1/s1