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3a,12a-Dihydroxy-5b-cholan-24-oic acid
SpectraBase Compound ID JF2iXwjHogg
InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)
InChIKey KXGVEGMKQFWNSR-UHFFFAOYSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKD2ywZrrxQ
Name DESOXYCHOLIC ACID
Alternate Name(s) 3,12-DIHYDROXYCHOLAN-24-OIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)
InChIKey KXGVEGMKQFWNSR-UHFFFAOYSA-N
Nominal Mass 392 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C(CC(O)CC2)CCC2C3C(C(CC3)C(CCC(=O)O)C)(C(O)CC12)C)C
SPLASH splash10-0a4i-9642000000-9241f6321af47d4c03de
Source File Reference LMCM-43070-070M
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany