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(16E)-13-methyl-3-oxidanyl-16-[[4-(trifluoromethyloxy)phenyl]methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 8oPfmPDqqUN
InChI InChI=1S/C26H25F3O3/c1-25-11-10-21-20-9-5-18(30)13-16(20)4-8-22(21)23(25)14-17(24(25)31)12-15-2-6-19(7-3-15)32-26(27,28)29/h2-3,5-7,9,12-13,21-23,30H,4,8,10-11,14H2,1H3/b17-12+
InChIKey GAKVNINHIOJQFK-SFQUDFHCSA-N
Mol Weight 442.48 g/mol
Molecular Formula C26H25F3O3
Exact Mass 442.175579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SCvhxVDm8W
Name (16E)-13-methyl-3-oxidanyl-16-[[4-(trifluoromethyloxy)phenyl]methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Alternate Name(s) (16E)-3-hydroxy-13-methyl-16-[4-(trifluoromethoxy)benzylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one (16E)-3-hydroxy-13-methyl-16-[[4-(trifluoromethoxy)phenyl]methylene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one (16E)-3-hydroxy-13-methyl-16-[[4-(trifluoromethoxy)phenyl]methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
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Formula C26H25F3O3
InChI InChI=1S/C26H25F3O3/c1-25-11-10-21-20-9-5-18(30)13-16(20)4-8-22(21)23(25)14-17(24(25)31)12-15-2-6-19(7-3-15)32-26(27,28)29/h2-3,5-7,9,12-13,21-23,30H,4,8,10-11,14H2,1H3/b17-12+
InChIKey GAKVNINHIOJQFK-SFQUDFHCSA-N
Molecular Weight 442.478 g/mol
SMILES Oc1ccc2C3CCC4(C(C3CCc2c1)C\C(C4=O)=C/c1ccc(OC(F)(F)F)cc1)C
SPLASH splash10-0udl-3930000000-a900c0f1be579b90dee3
Wiley ID 1445464