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(16E)-16-[4-(difluoromethoxy)benzylidene]-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID KSHaDGbgfi6
InChI InChI=1S/C26H26F2O3/c1-26-11-10-21-20-9-5-18(29)13-16(20)4-8-22(21)23(26)14-17(24(26)30)12-15-2-6-19(7-3-15)31-25(27)28/h2-3,5-7,9,12-13,21-23,25,29H,4,8,10-11,14H2,1H3/b17-12+
InChIKey PROGDNSPTJYDEC-SFQUDFHCSA-N
Mol Weight 424.49 g/mol
Molecular Formula C26H26F2O3
Exact Mass 424.185001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAe6IBhn4Vq
Name (16E)-16-[4-(difluoromethoxy)benzylidene]-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Alternate Name(s) (16E)-16-[[4-(difluoromethoxy)phenyl]methylene]-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one (16E)-16-[[4-(difluoromethoxy)phenyl]methylidene]-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one (16E)-16-[[4-[bis(fluoranyl)methoxy]phenyl]methylidene]-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
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Formula C26H26F2O3
InChI InChI=1S/C26H26F2O3/c1-26-11-10-21-20-9-5-18(29)13-16(20)4-8-22(21)23(26)14-17(24(26)30)12-15-2-6-19(7-3-15)31-25(27)28/h2-3,5-7,9,12-13,21-23,25,29H,4,8,10-11,14H2,1H3/b17-12+
InChIKey PROGDNSPTJYDEC-SFQUDFHCSA-N
Molecular Weight 424.488 g/mol
SMILES Oc1ccc2C3CCC4(C(C3CCc2c1)C\C(C4=O)=C/c1ccc(OC(F)F)cc1)C
SPLASH splash10-001i-2910000000-dda9e3c26f949ae316c6
Wiley ID 1445472