| Literature DB >> 27676594 |
Henry B Wedler1, T Newman1, Dean J Tantillo1.
Abstract
Density functional theory (DFT) calculations are used to probe the validity of mechanistic proposals for the conversion of isozizanoic acid to 12-norisoziza-5-ene, a reaction that occurs during steam distillation of vetiver oil. While this conversion corresponds overall to a simple decarboxylation, a multistep mechanism involving carbocation intermediates is supported by the computational results.Entities:
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Year: 2016 PMID： 27676594 DOI： 10.1021/acs.jnatprod.6b00348
Source DB: PubMed Journal: J Nat Prod ISSN： 0163-3864 Impact factor: 4.050