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3,7,12-trioxo-5β-cholan-24-oic acid, sodium salt

Compound with spectra: 2 NMR, and 1 FTIR

3,7,12-trioxo-5β-cholan-24-oic acid, sodium salt
SpectraBase Compound ID AozaiAsOpr4
InChI InChI=1S/C24H34O5.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;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1
InChIKey FKJIJBSJQSMPTI-CAOXKPNISA-M
Mol Weight 424.51276928 g/mol
Molecular Formula C24H33NaO5
Exact Mass 424.222568 g/mol
Parent InChIKey OHXPGWPVLFPUSM-KLRNGDHRSA-M
Enantiomer InChIKey FKJIJBSJQSMPTI-SLNQZZLASA-M

View Spectrum of 3,7,12-trioxo-5β-cholan-24-oic acid, sodium salt

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20

View Spectrum of 3,7,12-trioxo-5β-cholan-24-oic acid, sodium salt

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent D2O

View Spectrum of 3,7,12-trioxo-5β-cholan-24-oic acid, sodium salt

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Technique KBr WAFER
  • DEHYDROCHOLIC ACID, SODIUM SALT
  • 5B-CHOLANIC ACID, 3,7,12-DIOXO-, SODIUM SALT
Dehydrocholic acid, mono-TMS
9a,11a-Dimethyl-1-(1-methyl-4-oxo-4-phenylbutyl)-3a,3b,5,5a,6,8,9,9a,9b,10,11a-dodecahydrocyclopenta[a]phenanthrene-4,7,11-trione
Cholan-24-oic acid, 7,12-dioxo-, (5.beta.)-
1-Phenanthreneacetic acid, tetradecahydro-2-(methoxycarbonyl)-2,4b-dimethyl-3,7,10-trioxo-, methyl ester, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.alpha.,10a.alpha.)]-
3a,7a-Diacetoxy-12-oxo-5b-cholanoic acid, methyl ester
NORSELIC_ACID_A
3ALPHA,6ALPHA-DITOSYLOXY-24,24,25,25,26,26-HEXAFLUORO-26-TRIFLUOROMETHYL-27-NOR-5BETA-CHOLESTANE
[3,4-(13)C(2)]-(5-BETA,12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLAN-24-OIC-ACID-METHYLESTER
3-ALPHA-NONAFLUOROBUTYL-ANDROST-4-EN-3-BETA,17-BETA-DIOL
KIHEISTERONE-C
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