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3-Oxopregna-5,17(20)-diene-21-nitrile Ethylene Ketal
SpectraBase Compound ID 9rkFKrGf8Zh
InChI InChI=1S/C23H31NO2/c1-21-9-7-20-18(19(21)6-4-16(21)8-12-24)5-3-17-15-23(25-13-14-26-23)11-10-22(17,20)2/h3,8,18-20H,4-7,9-11,13-15H2,1-2H3/b16-8+/t18-,19-,20-,21+,22-/m0/s1
InChIKey LLDCPUFEQGHEOL-UTBOBFJSSA-N
Mol Weight 353.51 g/mol
Molecular Formula C23H31NO2
Exact Mass 353.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Csh64m3cW8o
Name 3-Oxopregna-5,17(20)-diene-21-nitrile Ethylene Ketal
CAS Registry Number 68550-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO2
InChI InChI=1S/C23H31NO2/c1-21-9-7-20-18(19(21)6-4-16(21)8-12-24)5-3-17-15-23(25-13-14-26-23)11-10-22(17,20)2/h3,8,18-20H,4-7,9-11,13-15H2,1-2H3/b16-8+/t18-,19-,20-,21+,22-/m0/s1
InChIKey LLDCPUFEQGHEOL-UTBOBFJSSA-N
Molecular Weight 353.506 g/mol
SMILES [C@]12(C(=CC[C@]3([C@@]4(CC\C([C@]4(CC[C@]23[H])C)=C/C#N)[H])[H])CC2(CC1)OCCO2)C
SPLASH splash10-0002-9101000000-eec53e51713714fcf5e5
Source of Spectrum J-44-707-0
Synonyms 2-[(1'S,2'R,10'R,11'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-7'-en-14'-ylidene]acetonitrile
Wiley ID 1344110