ISSN:
0749-1581
Keywords:
2D J - δ heteronuclear
;
NMR spectroscopy
;
Selective excitation
;
Long-range carbon-proton coupling constants
;
Macrolide antibiotics
;
Molecular dynamics
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
2D J - δ selective INEPT experiments were used to measure long-range 13C,1H coupling constants for the macrolide antibiotics roxithromycin, erythromycin and their metabolites, RU 39001 and erythralosamine, respectively. The 2D J - δ selective INEPT experiment was performed using selective excitation by a DANTE pulse train. In some cases, to avoid truncation problems in the t1 domain, treatment of the data using a linear prediction method was adopted. Dihedral angles for the glycosidic bonds and the erythronolid unit were deduced from a Karplus-type equation for conformational study. The apparent equilibrium between different conformers is discussed by comparison of experimental results and theoretical calculations by molecular dynamics.
Additional Material:
8 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260320102
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