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16.BETA.-BROMO-ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE(3-ACETATE)
SpectraBase Compound ID CKanoI2badR
InChI InChI=1S/C20H23BrO3/c1-11(22)24-13-4-6-14-12(9-13)3-5-16-15(14)7-8-20(2)17(16)10-18(21)19(20)23/h4,6,9,15-18H,3,5,7-8,10H2,1-2H3/t15-,16-,17+,18+,20+/m1/s1
InChIKey ZAWRSOOFVJIHLN-JGLNRKDHSA-N
Mol Weight 391.31 g/mol
Molecular Formula C20H23BrO3
Exact Mass 390.083058 g/mol
Enantiomer InChIKey ZAWRSOOFVJIHLN-WRMBXCAGSA-N
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Source of Spectrum Dr. Makin, London Hospital Medical College, UK
  • (8R,9S,13S,14S,16S)-16-bromo-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate
  • 16-BROMO-17-OXOESTRA-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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