Neogenkwanine I from the flower buds of Daphne genkwa with its stereostructure confirmation using quantum calculation profiles and antitumor evaluation

Xue-Wen Hou, Shuang Han, Ying-Ying Zhang, Hai-Bi Su, Pin-Yi Gao, Ling-Zhi Li, Shao-Jiang Song
2018 Figshare  
Neogenkwanine I (1), a new daphnane-type diterpene with 4,7-ether group, along with four known ones (2–5), were isolated from Daphne genkwa. The structure including absolute configurations of 1 was established on the basis of NMR, 13C-NMR and ECD calculations and CD exciton chirality analysis. 13C-NMR and ECD calculations of daphnane-type diterpenes were reported here for the first time. All of the diterpenes were screened for their cytotoxic activities against MCF-7 and Hep3B cell lines. The
more » ... totoxicity structure- activity relationship of compounds was illustrated with the absence of ortho-ester group of daphnane-type diterpenes.
doi:10.6084/m9.figshare.7314515 fatcat:yqxuoqzjgzduzgmeycpowxodky