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2,3-Dihydroxyestra-1,3,5(10)trien-17-one
SpectraBase Compound ID J5tFHg4VZKk
InChI InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3
InChIKey SWINWPBPEKHUOD-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhfHtqzSFIw
Name ESTRA-1,3,5(10)-TRIENE-2,3-DIOL-17-ONE
Alternate Name(s) 2,3-DIHYDROXYESTRA-1(10),2,4-TRIEN-17-ONE
CAS Registry Number 362-06-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3
InChIKey SWINWPBPEKHUOD-UHFFFAOYSA-N
Nominal Mass 286 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCc4cc(O)c(O)cc34)C2CCC1=O
SPLASH splash10-000i-2590000000-51dd3d12cb2fa9cd05a9
Source File Reference LMCM-93473-803H
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK