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3,11-Dihydroxypregnan-20-one
SpectraBase Compound ID DVQIUAgkdHE
InChI InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-19,23-24H,4-11H2,1-3H3
InChIKey NFVCQZNBRFPYOP-UHFFFAOYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2B0nkkpqe7W
Name 3.BETA.,11.ALPHA.-DIHYDROXY-5.BETA.-PREGNAN-20-ONE
Alternate Name(s) 3,11-DIHYDROXYPREGNAN-20-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-19,23-24H,4-11H2,1-3H3
InChIKey NFVCQZNBRFPYOP-UHFFFAOYSA-N
Nominal Mass 334 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(C(C)=O)CCC2C2CCC3C(C)(CCC(O)C3)C2C(O)C1
SPLASH splash10-0006-7921000000-5b4453555fcd59a9824f
Source File Reference LMCM-66267-164V
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany