[(9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [(9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [(9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C29H41F3O2 MolecularWeight: 478.62985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(=C4)OC(=O)C(F)(F)F)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CCC(=C4)OC(=O)C(F)(F)F)C)C

InChI

InChI=1S/C29H41F3O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(34-26(33)29(30,31)32)13-15-27(20,4)25(22)14-16-28(23,24)5/h9-10,17-19,23-25H,6-8,11-16H2,1-5H3/t19-,23-,24+,25+,27+,28-/m1/s1