title: Cadinane sesquiterpenes from the mushroom Lyophyllum transforme.
abstract: Two rare cadinane-type sesquiterpenes, lyophyllone A (1) and lyophyllanetriol A (2), were isolated from the mushroom Lyophyllum transforme. The structures were elucidated on the basis of exhaustive NMR techniques, together with MS, UV-Vis and molecular modelling. The absolute configuration of lyophyllone A was determined by ab initio theoretical CD calculation performed by Density Functional Theory (DFT) using the B3PW91/6-31G(d,p) basis set. The experimental CD were found to be in good agreement with the corresponding population-weighted theoretical CD spectra, allowing for the determination of the absolute stereochemistry of the compound.
authors: Università del Piemonte Orientale, Dipartimento di Scienze e Innovazione Tecnologica, Via T. Michel 11, 15121 Alessandria, Italy.
authors: Marco
authors: M
authors: Clericuzio
authors: Roberto
authors: R
authors: Negri
authors: Maurizio
authors: M
authors: Cossi
authors: Gianluca
authors: G
authors: Gilardoni
authors: Davide
authors: D
authors: Gozzini
authors: Giovanni
authors: G
authors: Vidari
mesh_terms: D000363:Agaricales / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D011789:Quantum Theory; D012717:Sesquiterpenes / Q000737:chemistry / Q000302:isolation & purification*
chemical_list: D012717:Sesquiterpenes; C586991:lyophyllanetriol A; C586990:lyophyllone A
keywords: Absolute configuration; CD; Cadinane; Lyophyllaceae; Lyophyllum transforme; Sesquiterpenes; Structure elucidation; TD-DFT calculations