Assignment of the 15N resonances of the antifungal agent posaconazole |
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| Authors: | Bruce D. Hilton Wenqing Feng Gary E. Martin |
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| Affiliation: | Merck Research Laboratories, Discovery and Preclinical Sciences, Process Chemistry–Rapid Structure Characterization Laboratory Summit, New Jersey 07901 |
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| Abstract: | The structurally complex antifungal agent posaconazole has been well characterized by conventional 1H‐ and 13C‐NMR studies. In contrast, 15N resonance assignments have never been reported. We now wish to report the assignment of the eight 15N resonances of posaconazole using two‐dimensional long‐range 1H‐15N GHMBCAD NMR data. The 15N resonance assignments were undertaken to facilitate the evaluation of the impact of 1H‐15N heteronuclear shift correlation data in the Computer‐Assisted Structure Elucidation (CASE) of complex molecular structures. J. Heterocyclic Chem., (2011). |
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