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Two‐dimensional NMR spectroscopy of LL‐28249‐α, a potent macrolide anthelmintic: 13 C, 1 H chemical shift assignments and solution conformation
Author(s) -
Rajan S.,
Stockton G. W.
Publication year - 1989
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260270504
Subject(s) - chemistry , homonuclear molecule , heteronuclear molecule , carbon 13 nmr satellite , proton , nuclear magnetic resonance spectroscopy , two dimensional nuclear magnetic resonance spectroscopy , chemical shift , proton nmr , stereochemistry , fluorine 19 nmr , crystallography , computational chemistry , molecule , organic chemistry , physics , quantum mechanics
LL‐F28249‐α is a potent antiparasitic antibiotic produced by Streptomyces cyaneogriseus ssp. noncyanogenus . Its complete 13 C NMR spectral assignment based on two‐dimensional double‐quantum experiments in a sample at natural isotopic abundance is described. The proton NMR assignments were made from a combination of homonuclear and heteronuclear two‐dimensional correlation experiments. Proton‐proton scalar couplings, nuclear Over‐hauser enhancements and molecular mechanics energy minimization calculations are also reported, permitting a comparison of solution conformation with the known x‐ray structure adapted from a closely related analogue.