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(16E)-10,13-dimethyl-16-[4-(trifluoromethyl)benzylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 1 MS (GC)

(16E)-10,13-dimethyl-16-[4-(trifluoromethyl)benzylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID HUOqfG3rcaN
InChI InChI=1S/C27H33F3O2/c1-25-11-9-20(31)15-19(25)7-8-21-22(25)10-12-26(2)23(21)14-17(24(26)32)13-16-3-5-18(6-4-16)27(28,29)30/h3-7,13,20-24,31-32H,8-12,14-15H2,1-2H3/b17-13+
InChIKey IVXHYDUXTYURSY-GHRIWEEISA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H33F3O2
Exact Mass 446.243265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnA78sq0gXe
Name (16E)-10,13-dimethyl-16-[4-(trifluoromethyl)benzylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Alternate Name(s) (16E)-10,13-dimethyl-16-[[4-(trifluoromethyl)phenyl]methylene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol (16E)-10,13-dimethyl-16-[[4-(trifluoromethyl)phenyl]methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
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Formula C27H33F3O2
InChI InChI=1S/C27H33F3O2/c1-25-11-9-20(31)15-19(25)7-8-21-22(25)10-12-26(2)23(21)14-17(24(26)32)13-16-3-5-18(6-4-16)27(28,29)30/h3-7,13,20-24,31-32H,8-12,14-15H2,1-2H3/b17-13+
InChIKey IVXHYDUXTYURSY-GHRIWEEISA-N
Molecular Weight 446.554 g/mol
SMILES OC1CC=2C(C3CCC4(C(C\C(C4O)=C\c4ccc(C(F)(F)F)cc4)C3CC2)C)(CC1)C
SPLASH splash10-0a4l-6930000000-12ae6c19330e6900d61b
Wiley ID 1445264