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5,6-Dichloro-17-oxoandrostan-3-yl acetate
SpectraBase Compound ID EOLnAnR0afi
InChI InChI=1S/C21H30Cl2O3/c1-12(24)26-13-6-9-20(3)16-7-8-19(2)15(4-5-18(19)25)14(16)10-17(22)21(20,23)11-13/h13-17H,4-11H2,1-3H3/t13?,14?,15?,16?,17?,19-,20+,21?/m0/s1
InChIKey WHAKDGMWDANYNR-WUCQQKQISA-N
Mol Weight 401.37 g/mol
Molecular Formula C21H30Cl2O3
Exact Mass 400.1572 g/mol
Enantiomer InChIKey WHAKDGMWDANYNR-JSLMPPBLSA-N
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Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
  • Acetic acid, 5,6-dichloro-10,13-dimethyl-17-oxohexadecahydrocyclopenta[a]phenanthren-3-yl ester
  • (2R,15S)-7,8-dichloro-2,15-dimethyl-14-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate

This compound is available in the following databases:

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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