Crystal structure of panduratin A: (1'RS,2'SR,6'RS)-(2,6-Dihydroxy-4-methoxyphenyl)[3''-methyl-2'-(3'-methylbut-2'-enyl)-6'-phenylcyclohex-3'-enyl]methanone

Abstract

Single-crystal X-ray structure determination of the title compound, C₂₆H₃₀O₄, confirms the stoichiometry, connectivity and stereochemistry recently assigned spectroscopically. Crystals are monoclinic, P2₁/n, a 10.140(5), b 24.85(1), c 9.4134) Å β 90.69(4)º,Z 4; the structure was refined to a residual of 0.055 for 1701 'observed' independent reflections.