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Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum
Authors:Chih-Hua Chao  Kuan-Hua Lin  Chiung-Yao Huang  Tsong-Long Hwang  Chang-Feng Dai  Hui-Chi Huang  Jyh-Horng Sheu
Abstract:A persistent study on soft coral Sarcophyton tortuosum resulted in the characterization of two new cembranolides, tortuolides A and B (1 and 2), and a new related diterpene, epi-sarcophytonolide Q. Their structures were determined not only by extensive spectroscopic analysis but also by DFT calculations of ECD and NMR data, the latter of which was combined with statistical analysis methods, e.g., DP4+ and J-DP4 approaches. Anti-inflammatory and cytotoxicity activities were evaluated in this study.
Keywords:tortuolide A   tortuolide B   epi-sarcophytonolide   DP4+   J-DP4   Sarcophyton tortuosum
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