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Deoxy-cholic acid, anion

View entire compound with spectra: 4 NMR

Deoxy-cholic acid, anion
SpectraBase Compound ID JF2iEaYz4sA
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)/p-1
InChIKey KXGVEGMKQFWNSR-UHFFFAOYSA-M
Mol Weight 391.6 g/mol
Molecular Formula C24H39O4
Exact Mass 391.284835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4i6vxsleoE
Name Deoxy-cholic acid, anion
Comments SODIUM SALT, NICOLET 200, ASSIGNED BY 2D NMR
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H39O4
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)/p-1
InChIKey KXGVEGMKQFWNSR-UHFFFAOYSA-M
Instrument Name see comment
Literature Reference M. Campredon, V. Quiroa, A. Thevand, A. Allouche, Magn. Res. Chem. 24, 624 (1986
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O