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CHOL-5-EN-22-YN-3-BETA,20(R)-DIOL
SpectraBase Compound ID 4agzmpjyYev
InChI InChI=1S/C24H36O2/c1-5-12-24(4,26)21-9-8-19-18-7-6-16-15-17(25)10-13-22(16,2)20(18)11-14-23(19,21)3/h6,17-21,25-26H,7-11,13-15H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-,24?/m0/s1
InChIKey DHUMPSYBGWWJTC-FRBBPBPFSA-N
Mol Weight 356.6 g/mol
Molecular Formula C24H36O2
Exact Mass 356.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TefsU4nv3Y
Name 20-(1-Propynyl)-5-pregnen-3,20-diol
CAS Registry Number 86562-07-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O2
InChI InChI=1S/C24H36O2/c1-5-12-24(4,26)21-9-8-19-18-7-6-16-15-17(25)10-13-22(16,2)20(18)11-14-23(19,21)3/h6,17-21,25-26H,7-11,13-15H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-,24?/m0/s1
InChIKey DHUMPSYBGWWJTC-FRBBPBPFSA-N
Molecular Weight 356.550 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@](C(C#CC)(O)C)(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-0a4i-0097000000-3ef1ba19182a0f48c6f9
Source of Spectrum F-44-1151-15
Synonyms 20-PP-DIOL CHOL-5-EN-22-YNE-3,20-DIOL, (3BETA)-
Wiley ID 1346210