ISSN:
1573-1111
Keywords:
bile acid amides
;
Cd2+-complexes
;
13C, 15N and 113Cd NMR
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Lithocholic acid N-(2-aminoethyl)amide (1) and deoxycholic acid N-(2-aminoethyl)amide(2) have been prepared and characterized by1H, 13C and 15N NMR. The accurate molecular masses of 1 and 2 have been determined by ESI MS. The formation of the Cd2+-complexes (1+Cd and 2+Cd) in CD3OD solution have been detected by 1H,13C, 15N and 113Cd NMR. The 13C NMR chemical shift assignments of 1 and 2 and their Cd2+-complexes are based on DEPT-135 and z-GS 1H,13C HMQC experiments as well as comparison with the assignments of the related structures. The 15N NMR chemical shiftassignments of the ligands and theirCd2+-complexes are based on z-GS1H,15N HMBC experiments. 13C NMR chemical shift differences between 1and its 1:1 Cd2+-complex based on ab initiocalculations at Hartree-Fock SCI-PCM level using3-21G(d) basis set are in agreement with theexperimental shift changes observed onCd2+-complexation.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1008153126545
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