Gregarithecinol, a trichodiene/bazzanene derivative from Gregarithecium curvisporum KT4079: DFT-supported stereochemical elucidation of units linked by a rotatable bond
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Abstract
Gregarithecinol (1), a new trichodiene/bazzanene-type sesquiterpene, was isolated from the fungus Gregarithecium curvisporum KT4079. This compound features a rotatable sp3 linkage connecting both asymmetric cyclohexane and cyclopentane moieties. Consequently, elucidating their configurational relationship using conventional spectral analysis alone was challenging. However, by analyzing multiple observed characteristic spectral profiles in combination with DFT calculations, the relative and absolute configurational relationships between the segments were successfully established, whereas DP4 analysis alone was inconclusive.
期刊介绍：
Tetrahedron Letters provides maximum dissemination of outstanding developments in organic chemistry. The journal is published weekly and covers developments in techniques, structures, methods and conclusions in experimental and theoretical organic chemistry. Rapid publication of timely and significant research results enables researchers from all over the world to transmit quickly their new contributions to large, international audiences.
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