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Ligubenzocycloheptanone A ( 1 ), a novel tricyclic butenolide with a 6/7/5-membered ring skeleton, was isolated from the rhizome of  Ligusticum chuanxiong . Its unusual structure was determined using UV, IR, HRESIMS, 1D and 2D NMR data, X-ray diffraction crystallography and by the comparison of experimental and calculated electronic circular dichroism (ECD) spectra.  1  possessed a benzocycloheptanone core featuring butyrolactone, which is rarely observed in nature. A possible biosynthetic pathway was proposed. Ligubenzocycloheptanone A showed strong radical scavenging activity with an IC 50  value of 2.3  μ M.

Ligubenzocycloheptanone A, a Novel Tricyclic Butenolide with a 6/7/5 Skeleton from Ligusticum chuanxiong