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ESTR-4-EN-3-ONE, 17-HYDROXY-, (17.BETA.)-
SpectraBase Compound ID J0dY8ZWXLV8
InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3
InChIKey NPAGDVCDWIYMMC-UHFFFAOYSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwpVhhEtNT3
Name ESTR-4-ENE-17.ALPHA.-OL-3-ONE
Alternate Name(s) 17-HYDROXYESTR-4-EN-3-ONE
CAS Registry Number 4409-34-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3
InChIKey NPAGDVCDWIYMMC-UHFFFAOYSA-N
Nominal Mass 274 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(O)CCC1C1C(C3CCC(C=C3CC1)=O)CC2
SPLASH splash10-00fr-7790000000-d51daf2a74b021c59375
Source File Reference LMCM-41345-788E
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK