O3-[3,5-bis(trifluoromethyl)phenyl] O1-[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] propanedioate

Systemtic Name: O3-[3,5-bis(trifluoromethyl)phenyl] O1-[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] propanedioate Openeye Name: O3-[3,5-bis(trifluoromethyl)phenyl] O1-[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] propanedioate CAS Name: propanedioic acid O3-[3,5-bis(trifluoromethyl)phenyl] ester O1-[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: 3-O-[3,5-bis(trifluoromethyl)phenyl] 1-O-[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] propanedioate Traditional Name: malonic acid O3-[3,5-bis(trifluoromethyl)phenyl] ester O1-[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: C38H50F6O4 MolecularWeight: 684.791619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC(=O)OC5=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)CC(=O)OC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C)C

InChI

InChI=1S/C38H50F6O4/c1-22(2)7-6-8-23(3)30-11-12-31-29-10-9-24-18-27(13-15-35(24,4)32(29)14-16-36(30,31)5)47-33(45)21-34(46)48-28-19-25(37(39,40)41)17-26(20-28)38(42,43)44/h9,17,19-20,22-23,27,29-32H,6-8,10-16,18,21H2,1-5H3