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17.ALPHA.-ETHYNYL-ESTR-4-ENE-17.BETA.-OL-3-ONE(3-O-METHYLOXIME)
SpectraBase Compound ID ELGtaAN6F92
InChI InChI=1S/C21H29NO2/c1-4-21(23)12-10-19-18-7-5-14-13-15(22-24-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,13,16-19,23H,5-12H2,2-3H3/b22-15+/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKey LCSBNAMHSCHNAR-VTKCIJPMSA-N
Mol Weight 327.47 g/mol
Molecular Formula C21H29NO2
Exact Mass 327.219829 g/mol
Enantiomer InChIKey LCSBNAMHSCHNAR-QAEMLZSRSA-N
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Source of Spectrum Dr. Makin, London Hospital Medical College, UK
  • (1R,3aS,3bR,9aR,9bS,11aS,E)-17-ethynyl-17-hydroxy-13-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one O-methyl oxime
  • 17-ETHYNYL-17-HYDROXYESTR-4-EN-3-ONE O-METHYLOXIME

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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