Abstract

The molecular asymmetry due to the atropisomerism of biflavone, (-)-4',4''',7,7''-tetra-O-methylcupressuflavone (1), has been studied by CD spectroscopy, and its absolute stereochemistry has been theoretically determined by the π-electron SCF-CI-DV MO calculation of CD spectra. The molecular geometry of compound (aR)-1 was calculated by molecular mechanics to give a stable conformation with a counterclockwise screw sense, in which the dihedral angle of the biphenyl part was 91 o

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