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Determination of long-range 13C, 1H coupling constants of macrolide antibiotics by 2D J—δ selective INEPT experiments

✍ Scribed by Patrick Ladam; Josyane Gharbi-Benarous; Martial Piotto; Marcel Delaforge; Jean Pierre Girault

Publisher
John Wiley and Sons
Year
1994
Tongue
English
Weight
629 KB
Volume
32
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

2D J—δ selective INEPT experiments were used to measure long‐range ^13^C,^1^H 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 t~1~ 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.

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