The absolute configuration of a potent new antitumor dihydroxanthenone, globosuxanthone A (1), active against human solid tumor cell lines and isolated by Gunatilaka et al. from Chaetomium globosum Ames and in this study from the endophytic fungus Microdiplodia sp., was established by a new methodology. In this new approach, the Cartesian coordinates of the X-ray data serve as input geometry for quantum mechanical calculation of the theoretical CD spectrum. Comparison with the solid-state CD spectrum gives a very good match, since the calculated and the experimentally acquired data are derived from the very same single conformation.
|Autori:||HUSSAIN H; KROHN K; FLOERKE U; SCHULZ B; DRAEGER S; PESCITELLI G; ANTUS S; KURTAN T|
|Titolo:||Absolute Configurations of Globosuxanthone A and Secondary Metabolites from Microdiplodia sp. – A Novel Solid-State CD/TDDFT Approach|
|Anno del prodotto:||2007|
|Digital Object Identifier (DOI):||10.1002/ejoc.200600789|
|Appare nelle tipologie:||1.1 Articolo in rivista|