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3,17-beta-DIHYDROXYESTRA-1,3,5(10)-TRIENE
SpectraBase Compound ID Cqv75wDRUIC
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3
InChIKey VOXZDWNPVJITMN-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nPcvubvhVs
Name ESTRA-1,3,5(10)-TRIENE-3,17.ALPHA.-DIOL
Alternate Name(s) ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
CAS Registry Number 57-91-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3
InChIKey VOXZDWNPVJITMN-UHFFFAOYSA-N
Nominal Mass 272 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES CC12C(O)CCC2C2CCc3cc(ccc3C2CC1)O
SPLASH splash10-00di-1950000000-c2516e31da85ad9644e8
Source File Reference LMCM-70527-243D
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK