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ESTRA-1,3,5(10)-TRIENE-7.ALPHA.-METHYL-3-OL-17-ONE
SpectraBase Compound ID AVgg45Th4Kz
InChI InChI=1S/C19H24O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h3-4,10-11,15-16,18,20H,5-9H2,1-2H3
InChIKey JUAJXSMWFOFDFC-UHFFFAOYSA-N
Mol Weight 284.4 g/mol
Molecular Formula C19H24O2
Exact Mass 284.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YpOnJTQ3X
Name ESTRA-1,3,5(10)-TRIENE-7.ALPHA.-METHYL-3-OL-17-ONE
Alternate Name(s) 3-HYDROXY-7-METHYLESTRA-1(10),2,4-TRIEN-17-ONE
CAS Registry Number 10448-96-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H24O2
InChI InChI=1S/C19H24O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h3-4,10-11,15-16,18,20H,5-9H2,1-2H3
InChIKey JUAJXSMWFOFDFC-UHFFFAOYSA-N
Nominal Mass 284 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES CC1Cc2c(ccc(O)c2)C2CCC3(C)C(=O)CCC3C12
SPLASH splash10-001i-1890000000-9792a9c8e3d817ecc374
Source File Reference LMCM-42129-634N
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK