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17,21-Cyclo-19-norpregna-1,3,5(10)-triene-20-carbonitrile, 20-(chloromethyl)-3-methoxy-, (20S)-
SpectraBase Compound ID ICrLgdrWV9c
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-AZZQQCEESA-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 DWjRsYnmyC8
Name 17,21-Cyclo-19-norpregna-1,3,5(10)-triene-20-carbonitrile, 20-(chloromethyl)-3-methoxy-, (20S)-
CAS Registry Number 68352-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-AZZQQCEESA-N
Molecular Weight 369.936 g/mol
SMILES [C@@]12([C@@](C#N)(CCl)C2)[C@@]2([C@@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])([H])CC1)C
SPLASH splash10-00l2-0936000000-cc5fa0b467284a1b120c
Source of Spectrum K-111-3102-0
Synonyms (1S,1'S,2S,10'S,11'S,15'S)-2-(chloromethyl)-5'-methoxy-15'-methylspiro[cyclopropane-1,14'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-2'(7'),3',5'-triene-2-carbonitrile (20S)-20-(chloromethyl)-3-methoxy-17,20-methylen-19-nor-1,3,5(10)-pregnatrien-21-nitrile Spiro[17H-cyclopenta[a]phenanthrene-17,1'-cyclopropane], 17,21-cyclo-19-norpregna-1,3,5(10)-triene-20-carbonitrile deriv.
Wiley ID 1353805