AI Article Synopsis
- The study evaluates the potential ways that five-membered rings in crotinsulidane diterpenes can form using advanced computational methods known as density functional theory.
- It suggests that a specific mechanism involving protonation and a type of reaction called electrocyclization has a low energy barrier, making it feasible in biological contexts.
- This indicates that the proposed formation mechanism could easily occur in nature, which is significant for understanding these complex organic compounds.
Article Abstract
The energetic viability of proposed mechanisms for the formation of the five-membered ring in crotinsulidane diterpenes is assessed using density functional theory calculations. A protonation-assisted coupled four-electron electrocyclization/prototropic shift mechanism is predicted to have a low (biologically relevant) barrier.
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| http://dx.doi.org/10.1021/acs.joc.7b02904 | DOI Listing |
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Coupled Electrocyclization/Prototropic Shift in the Biosynthesis of Crotinsulidane Diterpenoids.
J Org Chem
January 2018
Department of Chemistry, University of California-Davis, 1 Shields Avenue, Davis, California 95616, United States.
Article Synopsis
- The study evaluates the potential ways that five-membered rings in crotinsulidane diterpenes can form using advanced computational methods known as density functional theory.
- It suggests that a specific mechanism involving protonation and a type of reaction called electrocyclization has a low energy barrier, making it feasible in biological contexts.
- This indicates that the proposed formation mechanism could easily occur in nature, which is significant for understanding these complex organic compounds.
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