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5.ALPHA.-ESTRAN-17.ALPHA.-ETHYNYL-17.BETA.-OL-3-ONE
SpectraBase Compound ID 14jxFubPzHb
InChI InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,13,15-18,22H,4-12H2,2H3
InChIKey OMGILQMNIZWNOK-UHFFFAOYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp6omOXZJo1
Name 5.ALPHA.-ESTRAN-17.ALPHA.-ETHYNYL-17.BETA.-OL-3-ONE
Alternate Name(s) 17-ETHYNYL-17-HYDROXYESTRAN-3-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,13,15-18,22H,4-12H2,2H3
InChIKey OMGILQMNIZWNOK-UHFFFAOYSA-N
Nominal Mass 300 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC4CC(=O)CCC34)C2CCC1(O)C#C
SPLASH splash10-0fsl-8691000000-f89b6cb4f9fe9e8ab3da
Source File Reference LMCM-96130-864R
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK