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Title: Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum. Author: Chao CH, Lin KH, Huang CY, Hwang TL, Dai CF, Huang HC, Sheu JH. Journal: Mar Drugs; 2022 Apr 27; 20(5):. PubMed ID: 35621948. 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.[Abstract] [Full Text] [Related] [New Search]