[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[3,5-bis(trifluoromethyl)phenyl]butanoate

Systemtic Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[3,5-bis(trifluoromethyl)phenyl]butanoate Openeye Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[3,5-bis(trifluoromethyl)phenyl]butanoate CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]butanoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[3,5-bis(trifluoromethyl)phenyl]butanoate Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]butyric acid [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C39H54F6O2 MolecularWeight: 668.835279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C)C

InChI

InChI=1S/C39H54F6O2/c1-24(2)8-6-9-25(3)32-14-15-33-31-13-12-27-23-30(16-18-36(27,4)34(31)17-19-37(32,33)5)47-35(46)11-7-10-26-20-28(38(40,41)42)22-29(21-26)39(43,44)45/h12,20-22,24-25,30-34H,6-11,13-19,23H2,1-5H3