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2,4-DIBROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL(3-ACETATE)
SpectraBase Compound ID 1gsZ1FMMfTD
InChI InChI=1S/C22H24Br2O3/c1-4-22(26)10-8-17-14-5-6-15-16(13(14)7-9-21(17,22)3)11-18(23)20(19(15)24)27-12(2)25/h1,11,13-14,17,26H,5-10H2,2-3H3/t13-,14+,17-,21-,22-/m0/s1
InChIKey KBGLXCAMWTYZKT-ZTYQMOJCSA-N
Mol Weight 496.24 g/mol
Molecular Formula C22H24Br2O3
Exact Mass 494.009221 g/mol
Enantiomer InChIKey KBGLXCAMWTYZKT-JKUVYLEDSA-N
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Source of Spectrum Dr. Makin, London Hospital Medical College, UK
  • (8R,9S,13S,14S,17R)-2,4-dibromo-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate
  • 2,4-DIBROMO-17-ETHYNYL-17-HYDROXYESTRA-1,3,5(10)-TRIEN-3-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.

Fast and reliable identification of trace steroids requires an up-to-date library covering most known and newly emerging steroids. It is updated annually. Learn more.

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