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Cholic acid, anion

View entire compound with spectra: 9 NMR

Cholic acid, anion
SpectraBase Compound ID BRAOrZjanXZ
InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1
InChIKey BHQCQFFYRZLCQQ-UHFFFAOYSA-M
Mol Weight 407.6 g/mol
Molecular Formula C24H39O5
Exact Mass 407.279749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiEVLK5vgKf
Name 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 C24H39O5
InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1
InChIKey BHQCQFFYRZLCQQ-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