An Investigation of the Predominant Structure of Antibiotic Azithromycin in Chloroform Solution Through NMR and Thermodynamic Analysis.

Isabel S. Hernandes,Haroldo C. Da Silva,Helio F. Dos Santos,Eloah P. Avila,Mauro De Almeida,Matheus G. R. Gomes,Diego F. S. Paschoal,Wagner B. De Almeida

Physical chemistry chemical physics/PCCP Physical chemistry chemical physics（2022）

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摘要

DFT-PCM-5CHCl3 optimized structure of azithromycin likely to be observed in chloroform solution according to thermodynamic and 1H NMR data. The solid-state structure resembles very well the theoretically predicted conformation to exist in solution.

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