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ESTRA-1,3,5(10)-TRIENE-2,4-DIBROMO-3,17.BETA.-DIOL(17.BETA.-ACETATE)
SpectraBase Compound ID 1aOoVIIFTyH
InChI InChI=1S/C20H24Br2O3/c1-10(23)25-17-6-5-15-12-3-4-13-14(9-16(21)19(24)18(13)22)11(12)7-8-20(15,17)2/h9,11-12,15,17,24H,3-8H2,1-2H3
InChIKey YGDGJBWJHHTLMF-UHFFFAOYSA-N
Mol Weight 472.22 g/mol
Molecular Formula C20H24Br2O3
Exact Mass 470.009221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dvi9zBEeyri
Name ESTRA-1,3,5(10)-TRIENE-2,4-DIBROMO-3,17.BETA.-DIOL(17.BETA.-ACETATE)
Alternate Name(s) 2,4-DIBROMO-3-HYDROXYESTRA-1(10),2,4-TRIEN-17-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H24Br2O3
InChI InChI=1S/C20H24Br2O3/c1-10(23)25-17-6-5-15-12-3-4-13-14(9-16(21)19(24)18(13)22)11(12)7-8-20(15,17)2/h9,11-12,15,17,24H,3-8H2,1-2H3
InChIKey YGDGJBWJHHTLMF-UHFFFAOYSA-N
Nominal Mass 470 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES c12cc(Br)c(c(Br)c2CCC2C1CCC1(C2CCC1OC(C)=O)C)O
SPLASH splash10-00di-1014900000-a0cd0c8069e0613d1020
Source File Reference LMCM-98494-234Z
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK