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[Objective] To extract and isolate terpenoids from the leaves and branches of wild Agastache rugosa in Qinba mountainous area,and to study on the structure of those terpenoids.[Method] The powders of A.rugosa leaves and branches were extracted with 95% ethanol,the concrete was dispersed in water and then extracted by petroleum ether,ethyl acetate,butanol in turn,the terpenoids in the ethyl acetate extracts were isolated with silica gel column chromatography,and then characterized by TLC,IR,UV,NMR and x-ray diffraction.Its crystal structure was also determined by single crystal x-ray diffraction.[Result] This diterpenoid was Longikaurin D,the crystal of Longikaurin D belonged to orthorhombic crystallographic system,space group P2(1)2(1)2(1),and cell parameters:a=0.845 1(4) nm,b=1.061 5(5) nm,c=2.237 1(10) nm,α = β = γ = 90.00°,Mr=404.43,V=2.007(16) nm3,Dc=1.352 mg/m3,Z=4,F(000)=872,μ=0.103/mm,R1=0.076 7,ωR2=0.146 8.[Conclusion] Longikaurin D was extracted from A.rugosa for the first time,which provided scientific basis for developing and utilizing the terpenoids in A.rugosa.
[Objective] To extract and isolate terpenoids from the leaves and branches of wild Agastache rugosa in Qinba mountainous area, and to study on the structure of those terpenoids. [Method] The powders of A. rugosa leaves and branches were extracted with 95% ethanol , the concrete was dispersed in water and then extracted by petroleum ether, ethyl acetate, butanol in turn, the terpenoids in the ethyl acetate extracts were isolated with silica gel column chromatography, and then characterized by TLC, IR, UV, NMR and x- ray diffraction. Its crystal structure was also determined by single crystal x-ray diffraction. [Result] This diterpenoid was Longikaurin D, the crystal of Longikaurin D belonged to orthorhombic crystallographic system, space group P2 (1) 2 (1) 2 ) and cell parameters: a = 0.845 1 (4) nm, b = 1.061 5 (5) nm, c = 2.237 1 (10) nm, α = β = γ = 90.00 °, Mr = 404.43, V = 2.007 16) nm3, Dc = 1.352 mg / m3, Z = 4, F (000) = 872, μ = 0.103 / mm, R1 = 0.076 7, ωR2 = 0.146 8. [Conclusion] Longikaurin D was extracted from A. rugosa for the fir st time, which provided scientific basis for developing and utilizing the terpenoids in A. rugosa.