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Updated: May 1, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
Empirical rules for efficiently determining the structures and configurations of natural compounds via 1D NMR
Kuo Xu1, Ya-Nan Yang2, Pei-Cheng Zhang2
1Research Institute of Marine Traditional Chinese Medicine, The SATCM's Key Unit of Discovering and Developing New Marine TCM Drugs, Key Laboratory of Marine Traditional Chinese Medicine in Shandong Universities, Shandong University of Traditional Chinese Medicine, Qingdao, 266114, China.
Abstract:
Determining the chemical structures and stereochemistry of natural compounds present in trace amounts via derivatization or hydrolysis is a considerable challenge. Nonetheless, when employing conventional deuterated reagents, consistent patterns in the subtle variations in chemical shifts and coupling constants observed in the 1H or 13C NMR spectra may provide a straightforward and reliable approach for the structural elucidation in specific cases. Importantly, the 1D NMR-based empirical method presented herein is simple to perform and does not require additional support from other techniques. This mini-review is the first to thoroughly compile these empirical rules by combining our research with existing studies.
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