Structural determination of complex natural products by quantum mechanical calculations of (13)C NMR chemical shifts: development of a parameterized protocol for terpenes.

Abstract

Nuclear magnetic resonance (NMR) spectroscopy is one of the most important tools for determining the structures of organic molecules. Despite the advances made in this technique, revisions of erroneously established structures for natural products are still commonly published in the literature. In this context, the prediction of chemical shifts through ab… (More)
DOI: 10.1007/s00894-016-3045-6

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Cite this paper

@article{Albuquerque2016StructuralDO, title={Structural determination of complex natural products by quantum mechanical calculations of (13)C NMR chemical shifts: development of a parameterized protocol for terpenes.}, author={Ana Carolina Ferreira de Albuquerque and Daniel Joras Ribeiro and Mauro Barbosa de Amorim}, journal={Journal of molecular modeling}, year={2016}, volume={22 8}, pages={183} }