The Structure of a Novel Fungal Sesquiterpene, Elucidated by Spectral and Computational Methods.

Abstract
A novel dihydroxyfuran sesquiterpene has been isolated in small amounts from ethyl acetate extracts of fruit bodies of several Lactarius species (mushrooms). The chemical structure could be established by examination of its spectral data, while the determination of the relative configuration is based on the comparison of experimental 1H NMR data with theoretical data (obtained by computer calculations) for all possible stereoisomers. The compound is a minor product of the enzymatic conversion of sesquiterpenes that take place in the fruit bodies as a response to injury.

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