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Aggreganoids A-F, Carbon-Bridged Sesquiterpenoid Dimers and Trimers from Lindera aggregata.

Xin LiuJi YangJing FuXiao-Jun YaoJing-Rong WangLiang LiuZhi-Hong JiangGuo-Yuan Zhu
Published in: Organic letters (2019)
Six oligomeric sesquiterpenoids, aggreganoids A-F (1-6), were isolated from Lindera aggregata. Aggreganoid A (1) and B (2) are two unprecedented methine- or methylene-bridged sesquiterpenoid trimers possessing a unique C46 skeleton. Aggreganoids C-F (3-6) are the first examples of carbon-bridged disesquiterpenoids with a C33 or C31 skeleton in the plant kingdom. Their structures and absolute configurations were elucidated by using spectroscopic methods and electronic circular dichroism calculations. A plausible biosynthetic pathway of these compounds was also proposed.
Keyphrases
  • molecular docking
  • density functional theory
  • molecular dynamics simulations
  • molecular dynamics
  • high resolution
  • mass spectrometry
  • monte carlo