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17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL(3-ACETATE)
SpectraBase Compound ID DnThOhprSeo
InChI InChI=1S/C22H26O3/c1-4-22(24)12-10-20-19-7-5-15-13-16(25-14(2)23)6-8-17(15)18(19)9-11-21(20,22)3/h1,6,8,13,18-20,24H,5,7,9-12H2,2-3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey WHONTIANOSNSAH-AANPDWTMSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol
Enantiomer InChIKey WHONTIANOSNSAH-VNXMGFANSA-N
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Source of Spectrum Dr. Makin, London Hospital Medical College, UK
  • (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate
  • 17-ETHYNYL-17-HYDROXYESTRA-1(10),2,4-TRIEN-3-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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