Absolute configuration of bioactive furanogermacrenones from Commiphora erythraea (Ehrenb) Engl. by computational analysis of their chiroptical properties

作者：Santoro Ernesto; Messina Federica; Marcotullio M Carla^*; Superchi Stefano

来源：Tetrahedron, 2014, 70(43): 8033-8039.

DOI：10.1016/j.tet.2014.08.038

• Absolute configuration
• Optical rotation
• Electronic circular dichroism
• TDDFT calculations
• Furanogermacrenones

Absolute configurations (+)-(4S), (+)-(3S,4R), (-)-(2S,4S), and (-)-(1R,2R,4S) were assigned, for the first time, to bioactive furanogermacranes extracted from Commiphora etythraea resin by DFT computational analysis of their ORD curves and ECD spectra. This analysis established that all of these compounds share the same absolute configuration at the methyl-substituted carbon thus allowing us to hypothesize a biosynthetic relationship among these structurally related metabolites.

• 出版日期2014-10-28