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3-Hydroxy-estra-1,3,5(10)-trien-16,17-dione
SpectraBase Compound ID 3f7WPQ3dqsk
InChI InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3
InChIKey ANPHVANSJXDRTP-UHFFFAOYSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUca7l2dS8y
Name ESTRA-1,3,5(10)-TRIENE-3-OL-16,17-DIONE
Alternate Name(s) 3-HYDROXYESTRA-1,3,5(10)-TRIENE-16,17-DIONE
CAS Registry Number 1228-73-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3
InChIKey ANPHVANSJXDRTP-UHFFFAOYSA-N
Nominal Mass 284 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES CC12C(=O)C(=O)CC2C2CCc3cc(ccc3C2CC1)O
SPLASH splash10-08n9-1960000000-a854c5ac6f69494b1961
Source File Reference LMCM-63471-002W
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK