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2-BROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL(3-ACETATE)
SpectraBase Compound ID 7VBUBYUcoGY
InChI InChI=1S/C22H25BrO3/c1-4-22(25)10-8-18-16-6-5-14-11-20(26-13(2)24)19(23)12-17(14)15(16)7-9-21(18,22)3/h1,11-12,15-16,18,25H,5-10H2,2-3H3/t15-,16+,18-,21-,22-/m0/s1
InChIKey KYISBMVSGOCCIT-HIFDQRORSA-N
Mol Weight 417.34 g/mol
Molecular Formula C22H25BrO3
Exact Mass 416.098708 g/mol
Enantiomer InChIKey KYISBMVSGOCCIT-VQMFYWGHSA-N
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Source of Spectrum Dr. Makin, London Hospital Medical College, UK
  • (8R,9S,13S,14S,17R)-2-bromo-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-BROMO-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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