1H and 13C NMR characterization and stereochemical assignments of bile acids in aqueous media

• DOI: 10.1007/s11745-005-1466-1
• Publication Date: 2006-11-16T00:23:59Z
• Authors: Omkar B. Ijare; B. S. Somashekar; Y. Jadegoud; G. A. Nagana Gowda
• Keywords: Glycocholic acid; Deoxycholic acid; Tauroursodeoxycholic acid; Chenodeoxycholic acid; Taurocholic acid; Ursodeoxycholic acid; Heteronuclear molecule

Abstract The unconjugated bile acids cholic acid, deoxycholic and chenodeoxycholic acid; their glycine taurine conjugated glycocholic glycodeoxycholic glycochenodeoxycholic taurocholic taurodeoxycholic taurochenodeoxycholic a ursodeoxycholic tauroursodeoxycholic were characterized through 1 H 13 C NMR in aqueous media under the physiological pH region (7.4±0.1). Assignments of signals all made using combination several one‐ two‐dimensional, homonuclear ( H− H) heteronuclear C) correlations as well spectral editing methods. Stereochemical assignment five‐membered ring is reported here for first time. complete characterization various presented may have implications study pathophysiology biliary diseases human fluids spectroscopy.