ArticleAngewandte Chemie (International ed. in English)2020
Magnetically Induced Alignment of Natural Products for Stereochemical Structure Determination via NMR.
Article in Angewandte Chemie (International ed. in English), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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7 citing papers in PubMed.
- Residual Chemical Shift Anisotropies in the Structure Determination of Small Molecules.Magnetic resonance in chemistry : MRC · 2026Review
- Theory of Field-Dependent NMR Shifts in Paramagnetic Molecules.Journal of chemical theory and computation · 2025Article
- Benchmark of Density Functional Theory in the Prediction ofJournal of chemical theory and computation · 2025Article
- Recent Advances in Natural Products Derived from Marine Echinoderms and Endophytic Microbes: Chemical Insights and Therapeutic Potential.Marine drugs · 2025Review
- Sensing Magnetic Field and Intermolecular Interactions in Diamagnetic Solution Using Residual Dipolar Couplings of Zephycandidine.International journal of molecular sciences · 2022Article
- Structure and Absolute Configuration of Phenanthro-perylene Quinone Pigments from the Deep-Sea CrinoidMarine drugs · 2021Article
- Magnetically Induced Alignment of Natural Products for Stereochemical Structure Determination via NMR.Angewandte Chemie (International ed. in English) · 2020Article
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3 authors.
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Abstract
Anisotropic NMR has gained increasing popularity to determine the structure and specifically the configuration of small, flexible, non-crystallizable molecules. However, it suffers from the necessity to dissolve the analyte in special media such as liquid crystals or polymer gels. Generally, small degrees of alignment are also caused by an anisotropic magnetic susceptibility of the molecule, for example, induced by aromatic moieties. For this mechanism, the alignment can be predicted via density functional theory. Here we show that both residual dipolar couplings and residual chemical shift anisotropies can be acquired from natural products without special sample preparation using magnetically induced alignment. On the two examples of the novel natural product gymnochrome G and the alkaloid strychnine, these data, together with the predicted alignment, yield the correct configuration with high certainty.
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