Isolation and Structure Elucidation of Kadlongilactones C−F from Kadsura longipedunculata by NMR Spectroscopy and DFT Computational Methods
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- 作者：Jian-Xin Pu ; Sheng-Xiong Huang ; Jie Ren ; Wei-Lie Xiao ; Li-Mei Li ; Rong-Tao Li ; Liang-Bo Li ; Tou-Gen Liao ; Li-Guang Lou ; Hua-Jie Zhu ; Han-Dong Sun
- 刊名：Journal of Natural Products
- 出版年：2007
- 出版时间：November 2007
- 年：2007
- 卷：70
- 期：11
- 页码：1706 - 1711
- 全文大小：630K
- 年卷期：v.70,no.11(November 2007)
- ISSN：1520-6025
文摘
Four new triterpenoids, kadlongilactones C−F (2−5), containing a consecutive hexacyclic [7,7,5,6,6,6] ring system, were isolated from the leaves and stems of Kadsura longipedunculata. In comparison with the NMR data of kadlongilactones A (1) and D (3), a significant phenomena was discovered that ring D of 3 inverted from a half-chair in 1 to a half-boat conformation when the HO-16 group changed from α- to β-orientation. The structures of 2−5 were established on the basis of detailed spectroscopic analysis, and DFT computational methods were applied in the structural validation of compounds 3 and 5. Compounds 1−4 showed significant cytotoxicity against A549, HT-29, and K562 cell lines with IC50 values of 0.49−3.61 µM in vitro.