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3α,12α-dihydroxy-5β-cholan-24-oic acid, monosodium salt

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

3α,12α-dihydroxy-5β-cholan-24-oic acid, monosodium salt
SpectraBase Compound ID BmaSvcxWWRN
InChI InChI=1S/C24H40O4.Na/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);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1
InChIKey FHHPUSMSKHSNKW-SMOYURAASA-M
Mol Weight 414.56176928 g/mol
Molecular Formula C24H39NaO4
Exact Mass 414.274604 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8vMcppbkRQD
Name 3α,12α-dihydroxy-5β-cholan-24-oic 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 C24H39NaO4
InChI InChI=1S/C24H40O4.Na/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);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1
InChIKey FHHPUSMSKHSNKW-SMOYURAASA-M
Molecular Weight 414.561030
Synonyms DEOXYCHOLIC ACID, SODIUM SALT 5B-CHOLANIC ACID, 3A,12A-DIHYDROXY-, SODIUM SALT
Technique KBr WAFER