| Literature DB >> 28886245 |
Andrei G Kutateladze1, Dmitry M Kuznetsov1.
Abstract
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.Entities:
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Year: 2017 PMID: 28886245 DOI: 10.1021/acs.joc.7b02018
Source DB: PubMed Journal: J Org Chem ISSN: 0022-3263 Impact factor: 4.354