John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9vSQgUqQgqm SpectraBase Spectrum ID=Ji29MeB4z9r

(accessed ).
[3,4-(13)C(2)]-CHENODEOXYCHOLIC-ACID
SpectraBase Compound ID 9vSQgUqQgqm
InChI InChI=1S/C23H38O4/c1-13(3-8-21(26)27)16-4-5-18-17(16)6-7-19-22(18)20(25)12-14-11-15(24)9-10-23(14,19)2/h13-20,22,24-25H,3-12H2,1-2H3,(H,26,27)/t13-,14-,15+,16+,17+,18+,19-,20+,22-,23-/m0/s1/i11+1,15+1
InChIKey CILFZDDLSHDCJG-ANRXWNLLSA-N
Mol Weight 380.5 g/mol
Molecular Formula C2113C2H38O4
Exact Mass 380.28372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ji29MeB4z9r
Name [3,4-(13)C(2)]-CHENODEOXYCHOLIC-ACID
Compound Number 22B
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H38O4
InChI InChI=1S/C23H38O4/c1-13(3-8-21(26)27)16-4-5-18-17(16)6-7-19-22(18)20(25)12-14-11-15(24)9-10-23(14,19)2/h13-20,22,24-25H,3-12H2,1-2H3,(H,26,27)/t13-,14-,15+,16+,17+,18+,19-,20+,22-,23-/m0/s1/i11+1,15+1
InChIKey CILFZDDLSHDCJG-ANRXWNLLSA-N
Literature Reference Author G.P.TOCHTROP,G.T.D.KOSTER,D.P.CISTOLA,D.F.COVEY
Literature Reference Citation J.ORG.CHEM.,67,6764(2002)
Literature Reference DOI 10.1021/jo0259109
Molecular Weight 378.552 g/mol
Solvent CD3OD
Source File Reference UWSI22107
SpectraBase Batch ID 3dNYmTLfOaA