Germacrene D Cyclization: An Ab Initio Investigation

Essential oils that contain large concentrations of germacrene D are typically accompanied by cadinane sesquiterpenoids. The acid-catalyzed cyclization of germacrene D to give cadinane and selinane sesquiterpenes has been computationally investigated using both density functional (B3LYP/6-31G*) and...

Full description

Bibliographic Details
Main Author: William N. Setzer
Format: Article
Language:English
Published: MDPI AG 2008-01-01
Series:International Journal of Molecular Sciences
Subjects:
Online Access:http://www.mdpi.com/1422-0067/9/1/89/