NMR data for 90+ natural sesquiterpenes possessing triquinane cores were examined with the help of a relatively fast parametric/DFT hybrid computational method, DU8+. Thirteen of these compounds, i.e., approximately 14% of the sample, required structure correction. This rate of misassignment is similar to the percentage of misassigned halogenated sesquiterpenes reported previously.
No takes yet. Share an insight, caveat, or question.
Kutateladze et al. (2017) studied this question.
Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context: