目的 制備丹參酰-L-丙氨酰-L-脯氨酸冰片酯的單晶，并對(duì)其進(jìn)行結(jié)構(gòu)表征。方法 通過(guò)溶劑揮發(fā)法制備單晶，采用X射線單晶衍射對(duì)其晶體空間結(jié)構(gòu)進(jìn)行了解析，采用X射線粉末衍射進(jìn)行晶型分析，通過(guò)熱重分析（TGA）法–差示掃描量熱法（DSC）分析熱穩(wěn)定性。結(jié)果 晶體呈現(xiàn)無(wú)色透明針狀，屬于單斜晶系，空間群為P2₁。1個(gè)晶胞由4個(gè)分子組成，氫鍵主要存在于分子間，分子中存在6個(gè)手性碳原子，R、S型各有3個(gè)碳原子。粉末X射線衍射實(shí)測(cè)粉末衍射圖特征峰位置與理論衍射峰大致相同。DSC結(jié)果與TGA圖結(jié)果一致。結(jié)論 確證了丹參酰-L-丙氨酰-L-脯氨酸冰片酯的立體構(gòu)型和熱穩(wěn)定性。

Objective To prepare single crystals of tanshinol acyl-L-alanyl-L-proline bornyl ester, and to characterize its structure. Methods Solvent evaporation method was used to grow single crystals. The spatial structure of the crystal was analyzed using X-ray single crystal diffraction, the crystal structure was analyzed using X-ray powder diffraction, and the thermal stability was analyzed using TGA-DSC. Results The crystal appeared colorless and transparent needle like, belonging to the monoclinic crystal system, with space group of P2₁. A crystal cell was composed of four molecules, with hydrogen bonds mainly presented between molecules. There were six chiral carbon atoms in the molecule, and three carbon atoms in each of the R and S types. The position of the characteristic peaks in the measured powder X-ray diffraction pattern was roughly the same as the theoretical diffraction peak. The DSC results were consistent with the TGA plot results. Conclusion Three-dimensional configuration and thermal stability of tanshinol acyl-L-alanyl-L-proline bornyl ester are confirmed.

R927

教育部產(chǎn)學(xué)合作協(xié)同育人項(xiàng)目（220605634241456）；陜西省重點(diǎn)研發(fā)計(jì)劃項(xiàng)目（2021ZDLSF03-05）；陜西省教育廳科研計(jì)劃項(xiàng)目（23JP155）；陜西省教育廳服務(wù)地方專項(xiàng)項(xiàng)目（產(chǎn)業(yè)化培育項(xiàng)目）（23JC060）；陜西高校青年創(chuàng)新團(tuán)隊(duì)建設(shè)項(xiàng)目（2022-85）；西安醫(yī)學(xué)院校級(jí)科技創(chuàng)新團(tuán)隊(duì)項(xiàng)目（2021TD03，2021TD07）