[10,13-dimethyl-17-[7,7,7-tris(fluoranyl)-6-(trifluoromethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [10,13-dimethyl-17-[7,7,7-tris(fluoranyl)-6-(trifluoromethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [10,13-dimethyl-17-[6,6,6-trifluoro-1-methyl-5-(trifluoromethyl)hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [10,13-dimethyl-17-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-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-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [10,13-dimethyl-17-[6,6,6-trifluoro-1-methyl-5-(trifluoromethyl)hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C29H42F6O2 MolecularWeight: 536.632999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42F6O2/c1-17(6-5-7-25(28(30,31)32)29(33,34)35)22-10-11-23-21-9-8-19-16-20(37-18(2)36)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17,20-25H,5-7,9-16H2,1-4H3