Complete 1H and 13C resonance assignments of stereoisomeric 3α,6,7,12α‐tetrahydroxycholanoic acids by two‐dimensional shift‐correlated NMR

Takashi Iida, Frederic C. Chang, Kumiko Mushiake, Junichi Goto, Toshio Nambara

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

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 (1H1H COSY, 1H1H NOESY and 1H13C 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.

Original languageEnglish
Pages (from-to)645-651
Number of pages7
JournalMagnetic Resonance in Chemistry
Volume31
Issue number7
DOIs
Publication statusPublished - 1993 Jul

Keywords

  • 2D NMR (HH COSY, HH NOESY and HC HETCOR)
  • 3α,6,7,12α‐Tetrahydroxycholanoic acid stereoisomers
  • Bile acids
  • H and C NMR chemical shift assignment
  • Steroids
  • Substituent effect

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)

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