Complete 1H and 13C NMR resonance assignments were carried out for six stereoisomeric 6,7‐glycol derivatives of deoxycholic acid as their methyl esters (four being in the 5β‐series and two in the 5α‐series). In addition to conventional 1D NMR methods, 2D shift‐correlated NMR techniques (1H1H COSY, 1H1H NOESY and 1H13C HETCOR) were used for the signal assignments. Several 1H and 13C resonances have been reassigned from those previously reported. Substituent effects of the 6,7‐glycol moieties on the proton and carbon resonances were clarified and used in the structural elucidation of these compounds.
- 2D NMR (HH COSY, HH NOESY and HC HETCOR)
- 3α,6,7,12α‐Tetrahydroxycholanoic acid stereoisomers
- Bile acids
- H and C NMR chemical shift assignment
- Substituent effect
ASJC Scopus subject areas
- Materials Science(all)