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(3-alpha,5-alpha)-3-hydroxypregnane-11,20-dione
SpectraBase Compound ID 4H0NstvxWJo
InChI InChI=1S/C21H32O3/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/h13-17,19,23H,4-11H2,1-3H3
InChIKey DUHUCHOQIDJXAT-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcjqMQhO1h3
Name 3.ALPHA.-HYDROXY-5.BETA.-PREGNAN-11,20-DIONE
Alternate Name(s) 3-HYDROXYPREGNANE-11,20-DIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/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/h13-17,19,23H,4-11H2,1-3H3
InChIKey DUHUCHOQIDJXAT-UHFFFAOYSA-N
Nominal Mass 332 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 splash10-01po-9743000000-461a7615a1bec492a363
Source File Reference LMCM-29706-801L
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany