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3-HYDROXYCHOLESTAN-5-YL ACETATE
SpectraBase Compound ID 6AtnJxyuJ7u
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(32-21(4)30)18-22(31)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 HBEWKQFSPOXTPI-JNDVAAQDSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol
Enantiomer InChIKey HBEWKQFSPOXTPI-AELLVTJKSA-N
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Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
  • (1S,2R,5S,7R,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-7-yl acetate

Mass Spectra of Physiologically Active Substances - including drugs, steroid hormones,and endocrine disruptors 2011

Author: Parr, Maria Kristina; Opfermann, Georg; Schänzer, Wilhelm; Makin, Hugh L. J.

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