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3-ALPHA-ACETOXY-5-ALPHA-CHOLESTAN-5-ALPHA-OL
SpectraBase Compound ID 2aRAo3wh8PG
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22-,23+,24-,25+,26+,27-,28-,29-/m1/s1
InChIKey XGBHFLNWQIPOQW-DAECALLPSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol
Enantiomer InChIKey XGBHFLNWQIPOQW-VXJOJCLVSA-N
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 5-Hydroxycholestan-3-yl acetate
  • 3.ALPHA.-ACETOXY-5.ALPHA.-CHOLESTAN-5-OL
  • (3R,5R,8S,9S,10R,13R,14S,17R)-5-hydroxy-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Title Journal or Book Year
Additivity relations in carbon-13 nuclear magnetic resonance spectra of dihydroxy steroids The Journal of Organic Chemistry 1977

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