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Pregnane-3,11,20-triol, (3.alpha. 11.beta. 20.beta.-
SpectraBase Compound ID DxpXEYBqBP6
InChI InChI=1S/C21H36O3/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/h12-19,22-24H,4-11H2,1-3H3
InChIKey CZHLKVQGWWCQEG-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mqMQWyAw0K
Name 5.BETA.-PREGNAN-3.ALPHA.,11.BETA.,20.BETA.-TRIOL
Alternate Name(s) PREGNANE-3,11,20-TRIOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/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/h12-19,22-24H,4-11H2,1-3H3
InChIKey CZHLKVQGWWCQEG-UHFFFAOYSA-N
Nominal Mass 336 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(C(C)O)CCC2C2CCC3C(CCC(O)C3)(C)C2C(O)C1
SPLASH splash10-0ktf-9733000000-e7fc6881cd27abce2bf2
Source File Reference LMCM-88510-301E
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany