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(16E)-10,13-dimethyl-3-oxidanyl-16-[[4-(trifluoromethyloxy)phenyl]methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 72mx7n0AjLq
InChI InChI=1S/C27H31F3O3/c1-25-11-9-19(31)15-18(25)5-8-21-22(25)10-12-26(2)23(21)14-17(24(26)32)13-16-3-6-20(7-4-16)33-27(28,29)30/h3-7,13,19,21-23,31H,8-12,14-15H2,1-2H3/b17-13+
InChIKey FXBIRHRIYHYRSO-GHRIWEEISA-N
Mol Weight 460.54 g/mol
Molecular Formula C27H31F3O3
Exact Mass 460.222529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5BbrH9WnfN
Name (16E)-10,13-dimethyl-3-oxidanyl-16-[[4-(trifluoromethyloxy)phenyl]methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one
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Formula C27H31F3O3
InChI InChI=1S/C27H31F3O3/c1-25-11-9-19(31)15-18(25)5-8-21-22(25)10-12-26(2)23(21)14-17(24(26)32)13-16-3-6-20(7-4-16)33-27(28,29)30/h3-7,13,19,21-23,31H,8-12,14-15H2,1-2H3/b17-13+
InChIKey FXBIRHRIYHYRSO-GHRIWEEISA-N
Molecular Weight 460.537 g/mol
SMILES OC1CCC2(C3CCC4(C(C3CC=C2C1)C\C(C4=O)=C/c1ccc(OC(F)(F)F)cc1)C)C
SPLASH splash10-054o-7930000000-70d028804fcb871d5c80
Synonyms (16E)-3-hydroxy-10,13-dimethyl-16-[4-(trifluoromethoxy)benzylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one (16E)-3-hydroxy-10,13-dimethyl-16-[[4-(trifluoromethoxy)phenyl]methylene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one (16E)-3-hydroxy-10,13-dimethyl-16-[[4-(trifluoromethoxy)phenyl]methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one
Wiley ID 1445457