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Pregnan-3-one, 17-hydroxy-, (5.alpha.,17.alpha.)-
SpectraBase Compound ID GIiDo7SiW0U
InChI InChI=1S/C21H34O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h14,16-18,23H,4-13H2,1-3H3
InChIKey GPUVTXKHQDYRQO-UHFFFAOYSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9G7Xi18EzCo
Name 17.BETA.-HYDROXY-5.ALPHA.,17.ALPHA.-PREGNAN-3-ONE
Alternate Name(s) 17-HYDROXYPREGNAN-3-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h14,16-18,23H,4-13H2,1-3H3
InChIKey GPUVTXKHQDYRQO-UHFFFAOYSA-N
Nominal Mass 318 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC(=O)CC2CCC2C1CCC1(C2CCC1(CC)O)C
SPLASH splash10-052r-9671000000-0d8331f077945ed2a2aa
Source File Reference LMCM-93109-108K
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany