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Cholic acid, monosodium salt

View entire compound with spectra: 1 NMR, and 2 FTIR

Cholic acid, monosodium salt
SpectraBase Compound ID 3Ab5nE1QIoG
InChI InChI=1S/C24H40O5.Na/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);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1
InChIKey NRHMKIHPTBHXPF-TUJRSCDTSA-M
Mol Weight 430.56076928 g/mol
Molecular Formula C24H39NaO5
Exact Mass 430.269519 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9mhTBIkTzmz
Name Cholic acid, monosodium salt
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H39NaO5
InChI InChI=1S/C24H40O5.Na/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);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1
InChIKey NRHMKIHPTBHXPF-TUJRSCDTSA-M
Molecular Weight 430.560430
Synonyms 5B-CHOLANIC ACID, 3A,7A,12A-TRI- HYDROXY-, SODIUM SALT CHOLIC ACID, SODIUM SALT
Technique KBr WAFER