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ESTRA-4,6-DIEN-17-BETA-OL-3-ONE
SpectraBase Compound ID 16DFfDRch9x
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/h2,4,10,13-17,20H,3,5-9H2,1H3
InChIKey HFLHHQWDPZNOPI-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 6N6ZKdG323I
Name ESTRA-4,6-DIENE-17.BETA.-OL-3-ONE
Alternate Name(s) 17-HYDROXYESTRA-4,6-DIEN-3-ONE
CAS Registry Number 14531-84-1
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/h2,4,10,13-17,20H,3,5-9H2,1H3
InChIKey HFLHHQWDPZNOPI-UHFFFAOYSA-N
Nominal Mass 272 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(O)CCC2C2C(C3CCC(=O)C=C3C=C2)CC1
SPLASH splash10-00di-5950000000-20cc26e05cce614cefd7
Source File Reference LMCM-64414-366M
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK