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1.ALPHA.,17.BETA.-DIHYDROXY-19-NOR-17.ALPHA.-PREGN-4-ENE-20-IN-3-ONE
SpectraBase Compound ID EAfWUcKx2Vy
InChI InChI=1S/C20H26O3/c1-3-20(23)9-7-16-14-5-4-12-10-13(21)11-17(22)18(12)15(14)6-8-19(16,20)2/h1,10,14-18,22-23H,4-9,11H2,2H3
InChIKey KLZCLCULRJDLIH-UHFFFAOYSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38ffWgckRVO
Name 1.ALPHA.,17.BETA.-DIHYDROXY-19-NOR-17.ALPHA.-PREGN-4-ENE-20-IN-3-ONE
Alternate Name(s) 17-ETHYNYL-1,17-DIHYDROXYESTR-4-EN-3-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-3-20(23)9-7-16-14-5-4-12-10-13(21)11-17(22)18(12)15(14)6-8-19(16,20)2/h1,10,14-18,22-23H,4-9,11H2,2H3
InChIKey KLZCLCULRJDLIH-UHFFFAOYSA-N
Nominal Mass 314 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12=CC(CC(O)C1C1C(CC2)C2C(CC1)(C)C(O)(CC2)C#C)=O
SPLASH splash10-01ox-6941000000-e1723069394eeac13adf
Source File Reference LMCM-96604-683W
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany