For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Deoxycholic acid

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, and 1 MS (GC)

Deoxycholic acid
SpectraBase Compound ID C39asr3e2Mn
InChI InChI=1S/C24H40O4/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)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey KXGVEGMKQFWNSR-LLQZFEROSA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7hdrB560gEM
Name Deoxycholic acid
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O4
InChI InChI=1S/C24H40O4/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)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey KXGVEGMKQFWNSR-LLQZFEROSA-N
Melting Point 174-176C
Molecular Weight 392.58
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms DEOXYCHOLIC ACID CHOLIC ACID, DEOXY-, 5B-CHOLANIC ACID, 3A,12A-DIHYDROXY-,