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5-BETA-CHOLEST-1-EN-3-ONE
SpectraBase Compound ID 3ZeOjlaIy13
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey IIPHPVVRBVBREZ-JDIFZLMISA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol
Enantiomer InChIKey IIPHPVVRBVBREZ-SROJHNJESA-N
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KC-1992-3108-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • (5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Title Journal or Book Year
Resolution of conflicting migratory reports in ring expansion of 3-keto steroids to oxygen and nitrogen Canadian Journal of Chemistry 1980

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