CAJ | 학술논문

为研究龙胆草地上部分的化学成分,利用硅胶柱色谱对其乙醇提取物进行了分离纯化,根据理化性质和波谱方法鉴定化合物的结构,分离得到6-去甲氧基-7-甲基茵陈色原酮(Ⅵ)和其他5种已知化合物:β-香树脂醇(I)、β-谷甾醇(Ⅱ)、β-香树脂醇乙酸酯(Ⅲ)、乌苏醇(Ⅳ)、齐墩果酸(V).其中化合物Ⅵ属首次从龙胆科植物中分离得到的具有2-苯氧基色原酮骨架的天然酚类成分,对其1D和2D NMR谱的特征及EI质谱主要碎片的可能裂解方式进行了讨论,并利用单晶X射线衍射方法对其晶体结构进行了分析.结果表明化合物Ⅵ属正交晶系,Pbca空间群,晶胞参数a=1.291 83(19)nm,b=0.721 19(15)nm,c=2.923 7(5)nm,α=90°,β=90°,γ=90°,V=2.723 9(8)nm~3,Z=8,D_c=1.464 g/m~3,μ=0.114 mm~(-1),F(000)=1 248.B环平面与A/C环平面的两面角为99.6°,分子间存在π-π堆积作用.
위연구룡담초지상부분적화학성분,이용규효주색보대기을순제취물진행료분리순화,근거이화성질화파보방법감정화합물적결구,분리득도6-거갑양기-7-갑기인진색원동(Ⅵ)화기타5충이지화합물:β-향수지순(I)、β-곡치순(Ⅱ)、β-향수지순을산지(Ⅲ)、오소순(Ⅳ)、제돈과산(V).기중화합물Ⅵ속수차종룡담과식물중분리득도적구유2-분양기색원동골가적천연분류성분,대기1D화2D NMR보적특정급EI질보주요쇄편적가능렬해방식진행료토론,병이용단정X사선연사방법대기정체결구진행료분석.결과표명화합물Ⅵ속정교정계,Pbca공간군,정포삼수a=1.291 83(19)nm,b=0.721 19(15)nm,c=2.923 7(5)nm,α=90°,β=90°,γ=90°,V=2.723 9(8)nm~3,Z=8,D_c=1.464 g/m~3,μ=0.114 mm~(-1),F(000)=1 248.B배평면여A/C배평면적량면각위99.6°,분자간존재π-π퇴적작용.
To study the chemical constituents of aerial part of Gentiana scabra Bunge,the plant material was extracted with ethanol,and the constituents were separated and purified from the ethanol extraction by silica gel column chromatography.Their structures were identified as 6-demethoxy-7-methylcapillarisin (Ⅵ) and five other compounds,β-Amyrin(I),β-Sitosterol (II),β-Amyrin acetate (Ⅲ),Uvaol (IV) and Oleanolic acid (V) on the basis of physicochemical properties and spectral methods.Among them,Compound Ⅵ was isolated from Gentianaceae family for the first time.Its characterization of 1D and 2D NMR spectra and possible fragmentation pathway in EI-MS were discussed.The crystal structure of Compound Ⅵ was determined to be orthorhombic and Pbca space group by X-ray crystallographic analysis.Crystal data are as follows:a=1.291 83(19)nm, b=0.721 19(15)nm,c=2.923 7(5)nm,α=90°,β=90°,γ=90°,V=2.723 9(8)nm~3,Z=8,D_c=1.464 g/m~3,μ=0.114 mm~(-1),F(000)=1 248.The dihedral angle between B ring and A/C ring is 99.6°.There are π-π stacking interactions between molecules.