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Assignment of the 15 N resonances of the antifungal agent posaconazole
Author(s) -
Hilton Bruce D.,
Feng Wenqing,
Martin Gary E.
Publication year - 2011
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.665
Subject(s) - posaconazole , heteronuclear molecule , chemistry , antifungal , stereochemistry , resonance (particle physics) , nuclear magnetic resonance spectroscopy , itraconazole , microbiology and biotechnology , physics , particle physics , biology
The structurally complex antifungal agent posaconazole has been well characterized by conventional 1 H‐ and 13 C‐NMR studies. In contrast, 15 N resonance assignments have never been reported. We now wish to report the assignment of the eight 15 N resonances of posaconazole using two‐dimensional long‐range 1 H‐ 15 N GHMBCAD NMR data. The 15 N resonance assignments were undertaken to facilitate the evaluation of the impact of 1 H‐ 15 N heteronuclear shift correlation data in the Computer‐Assisted Structure Elucidation (CASE) of complex molecular structures. J. Heterocyclic Chem., (2011).