Macrocyclic daphnane orthoesters (MDOs) have attracted significant research interest for the drug discovery to cure HIV infection based on the “Shock and Kill” strategy. In the present study, the first chemical study on Wikstroemia ligustrina (Thymelaeaceae) was carried out by LC–MS analysis and phytochemical investigation. Nine daphnane diterpenoids (1−9) including seven MDOs were detected by LC–MS analysis. Further phytochemical investigation resulted in the isolation and structural elucidation of five daphnanes (1, 2, 5, 8, and 9) with potent anti-HIV activity. Taking the isolated MDO (1) as a model compound, the MS/MS fragmentation pathway was also elucidated.

大环达芬烷原酸酯 (MDO) 已经引起了人们对基于“休克和杀死”策略治疗 HIV 感染的药物发现的重大研究兴趣。在本研究中，通过 LC-MS 分析和植物化学研究对Wikstroemia ligustrina（百里香科）进行了第一次化学研究。九个daphnane二萜类化合物（1 - 9）包括7分的MDO通过LC-MS分析检测到。进一步调查植物化学物质导致的分离和五个daphnanes（结构解析1，2，5，8，和9）具有强效的抗HIV活性。采取孤立的 MDO ( 1) 作为模型化合物，还阐明了 MS/MS 碎裂途径。