桢楠木精油中两种主要化合物的分离纯化及其结构鉴定

[Objective] To isolate and purify the main chemical components in Phoebe Zhennan wood's essential oil and determine its molecular structure using the nuclear magnetic resonance (NMR) technique.[Methods] Sichuan Zhennan wood was used as the research material. Phoebe Zhennan wood essential oil obtained by supercritical CO2 fluid extraction was purified by methods such as silica gel column chromatography, silver nitrate silica gel column chromatography, and preparative high-performance liquid chromatography (HPLC) with C18 to isolate and purify the high-purity natural compounds. The chemical structures of the main compounds were further determined and analyzed by NMR spectroscopy.[Results]The main compounds in Phoebe Zhennan wood essential oil, compounds Ⅰ and Ⅱ, remain stable in Phoebe Zhennan wood from different sources. Still, their relative contents are significantly higher than other compounds, showing absolute dominance among all compounds. The purity of the compounds Ⅰ and Ⅱ after preparation-type high-performance liquid chromatography purification is 96.6% and 95.1%, respectively,the highest purity achievable through current separation purification or artificial synthesis.[Conclusion]Through structural analysis, it was determined that the chemical name of compound I is 2-((2R,8R,8aS)-8,8a-Dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-ol, known in English as Valerianol, the chemical name of compound II is 2-((2R,5R,10R)-6,10-Dimethylspiro[4.5]dec-6-en-2-yl)propan-2-ol, known in English as Agarospirol. Valerianol (compound I) and Agarospirol (compound II) significantly affect the efficacy and usage of Phoebe Zhennan wood essential oil, warranting further research into their biological activities and toxicology.