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(20S)-20-(Chloromethyl)-3-methoxy-17,20-methylene-19-nor-1,3,5(10)-pregnatriene-21-nitrile
SpectraBase Compound ID JeaCIF9mMdj
InChI InChI=1S/C23H28ClNO/c1-21-9-7-18-17-6-4-16(26-2)11-15(17)3-5-19(18)20(21)8-10-23(21)12-22(23,13-24)14-25/h4,6,11,18-20H,3,5,7-10,12-13H2,1-2H3/t18-,19-,20+,21+,22-,23-/m1/s1
InChIKey OYFKPWMZOHJBEH-WSJQOYCOSA-N
Mol Weight 369.94 g/mol
Molecular Formula C23H28ClNO
Exact Mass 369.185942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnUufHHlqgh
Name (20S)-20-(Chloromethyl)-3-methoxy-17,20-methylene-19-nor-1,3,5(10)-pregnatriene-21-nitrile
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Formula C23H28ClNO
InChI InChI=1S/C23H28ClNO/c1-21-9-7-18-17-6-4-16(26-2)11-15(17)3-5-19(18)20(21)8-10-23(21)12-22(23,13-24)14-25/h4,6,11,18-20H,3,5,7-10,12-13H2,1-2H3/t18-,19-,20+,21+,22-,23-/m1/s1
InChIKey OYFKPWMZOHJBEH-WSJQOYCOSA-N
Molecular Weight 369.936 g/mol
SMILES c1c2[C@]3(CC[C@]4(C)[C@]5(C[C@@]5(CCl)C#N)CC[C@]4([C@@]3(CCc2cc(OC)c1)[H])[H])[H]
SPLASH splash10-00yj-0924000000-c2a130bf420503cf7977
Source of Spectrum K-111-3102-13a
Synonyms (2'S,8S,9S,13S,14S,17R)-2'-(chloromethyl)-3-methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,1'-cyclopropane]-2'-carbonitrile
Wiley ID 1794270