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20.ALPHA.-HYDROXY-5.ALPHA.-PREGNAN-3-ONE
SpectraBase Compound ID 7G0JEGKHXGN
InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3
InChIKey DYVGYXXLXQESJE-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 7VEAb1Jj4yc
Name 20.ALPHA.-HYDROXY-5.ALPHA.-PREGNAN-3-ONE
Alternate Name(s) 20-HYDROXYPREGNAN-3-ONE
CAS Registry Number 18880-79-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3
InChIKey DYVGYXXLXQESJE-UHFFFAOYSA-N
Nominal Mass 318 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC4C3(C)CCC(=O)C4)C2CCC1C(C)O
SPLASH splash10-001i-9550000000-cc806ab706a7fb582dfa
Source File Reference LMCM-35116-789C
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany