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(16E)-16-(2-chlorobenzylidene)-10,13-dimethyl-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)-16-(2-chlorobenzylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID Fc7DYow1GDm
InChI InChI=1S/C26H33ClO2/c1-25-11-9-19(28)15-18(25)7-8-20-21(25)10-12-26(2)22(20)14-17(24(26)29)13-16-5-3-4-6-23(16)27/h3-7,13,19-22,24,28-29H,8-12,14-15H2,1-2H3/b17-13+
InChIKey XRVKATFJHJNMOP-GHRIWEEISA-N
Mol Weight 413.0 g/mol
Molecular Formula C26H33ClO2
Exact Mass 412.216908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gsCw8V9N89
Name (16E)-16-(2-chlorobenzylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
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Formula C26H33ClO2
InChI InChI=1S/C26H33ClO2/c1-25-11-9-19(28)15-18(25)7-8-20-21(25)10-12-26(2)22(20)14-17(24(26)29)13-16-5-3-4-6-23(16)27/h3-7,13,19-22,24,28-29H,8-12,14-15H2,1-2H3/b17-13+
InChIKey XRVKATFJHJNMOP-GHRIWEEISA-N
Molecular Weight 413.001 g/mol
SMILES OC1CC=2C(C3CCC4(C(C\C(C4O)=C\c4c(Cl)cccc4)C3CC2)C)(CC1)C
SPLASH splash10-052f-6920000000-4ef8a79f5e77de2c9bb3
Synonyms (16E)-16-[(2-chlorophenyl)methylene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol (16E)-16-[(2-chlorophenyl)methylidene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1445261