1-[4-[[(10S,13R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-12-[4-[2,2,2-tris(fluoranyl)ethanoyl]phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-[4-[[(10S,13R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-12-[4-[2,2,2-tris(fluoranyl)ethanoyl]phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-[4-[[(10S,13R)-10,13-dimethyl-17-[(1R)-1-methylbutyl]-12-[4-(2,2,2-trifluoroacetyl)phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-2,2,2-trifluoro-ethanone CAS Name: 1-[4-[[(10S,13R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-12-[4-(2,2,2-trifluoro-1-oxoethyl)phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-2,2,2-trifluoroethanone IUPAC Name: 1-[4-[[(10S,13R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-12-[4-(2,2,2-trifluoroacetyl)phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-2,2,2-trifluoroethanone Traditional Name: 1-[4-[[(10S,13R)-10,13-dimethyl-17-[(1R)-1-methylbutyl]-12-[4-(2,2,2-trifluoroacetyl)phenoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]-2,2,2-trifluoro-ethanone Formula: C40H48F6O4 MolecularWeight: 706.797139

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OC5=CC=C(C=C5)C(=O)C(F)(F)F)C)OC6=CC=C(C=C6)C(=O)C(F)(F)F)C

Isomeric SMILES

CCC[C@@H](C)C1CCC2[C@@]1(C(CC3C2CCC4[C@@]3(CCC(C4)OC5=CC=C(C=C5)C(=O)C(F)(F)F)C)OC6=CC=C(C=C6)C(=O)C(F)(F)F)C

InChI

InChI=1S/C40H48F6O4/c1-5-6-23(2)31-17-18-32-30-16-11-26-21-29(49-27-12-7-24(8-13-27)35(47)39(41,42)43)19-20-37(26,3)33(30)22-34(38(31,32)4)50-28-14-9-25(10-15-28)36(48)40(44,45)46/h7-10,12-15,23,26,29-34H,5-6,11,16-22H2,1-4H3/t23-,26?,29?,30?,31?,32?,33?,34?,37+,38-/m1/s1