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Chenodeoxycholic acid

View entire compound with spectra: 6 NMR, 3 FTIR, 1 MS (GC), and 4 MS (LC)

Chenodeoxycholic acid
SpectraBase Compound ID DaDQGXCOR9o
InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey RUDATBOHQWOJDD-BSWAIDMHSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5dtm8ZdDGv1
Name Chenodeoxycholic acid
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Boiling Point 162-164C
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey RUDATBOHQWOJDD-BSWAIDMHSA-N
Molecular Weight 392.58
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CHENODEOXYCHOLIC ACID 5B-CHOLAN-24-OIC ACID, 3A,7A-DIHYDROXY-,