The invention discloses a cimicifuga triterpenoid compound and application thereof in preparation of anti-tumor drugs. Shown by targeted screening results directed at tumor-specific mutation gene products, at the concentration of being non-toxic to wild-type normal mouse embryonic fibroblast, a compound KY40 can selectively kill tumor cells with tumor-specific mutation genes; and shown by a GFP (Green Fluorescent Protein) reporting vector screening system of a gene p16 promoter, the compound KY40 can act on the p16 promoter, and shown by the characteristics, the novel cimicifuga triterpenoid compound and pharmaceutical compositions taking the cimicifuga triterpenoid compound as an effective treatment amount have application potential in the preparation of individualized treatment drugs directed at tumor-specific mutation genes p53 and tumor suppressor genes p16.