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3.beta.-Hydroxy-5.alpha.-pregn-17(20)-carbonitrile acetate
SpectraBase Compound ID 8iaUT507wAs
InChI InChI=1S/C24H35NO2/c1-15(14-25)20-7-8-21-19-6-5-17-13-18(27-16(2)26)9-11-23(17,3)22(19)10-12-24(20,21)4/h17-19,21-22H,5-13H2,1-4H3/b20-15-/t17-,18-,19?,21?,22?,23-,24+/m0/s1
InChIKey CHGMIZNLYTVNPI-FKLXSKCXSA-N
Mol Weight 369.5 g/mol
Molecular Formula C24H35NO2
Exact Mass 369.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RfGbAiPIi5
Name 3.beta.-Hydroxy-5.alpha.-pregn-17(20)-carbonitrile Acetate
CAS Registry Number 31056-35-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35NO2
InChI InChI=1S/C24H35NO2/c1-15(14-25)20-7-8-21-19-6-5-17-13-18(27-16(2)26)9-11-23(17,3)22(19)10-12-24(20,21)4/h17-19,21-22H,5-13H2,1-4H3/b20-15-/t17-,18-,19?,21?,22?,23-,24+/m0/s1
InChIKey CHGMIZNLYTVNPI-FKLXSKCXSA-N
Molecular Weight 369.549 g/mol
SMILES [C@@]12(\C(=C/(C#N)C)CCC2C2CC[C@@]3([C@@](C2CC1)(CC[C@](OC(=O)C)(C3)[H])C)[H])C
SPLASH splash10-066r-0049000000-6b758f5bec40a5981ea7
Source of Spectrum J-44-707-0
Synonyms (2S,5S,7S,14Z,15S)-14-(1-cyanoethylidene)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate
Wiley ID 1353832