Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral <i>Sarcophyton tortuosum</i>
oleh: Chih-Hua Chao, Kuan-Hua Lin, Chiung-Yao Huang, Tsong-Long Hwang, Chang-Feng Dai, Hui-Chi Huang, Jyh-Horng Sheu
| Format: | Article |
|---|---|
| Diterbitkan: | MDPI AG 2022-04-01 |
Deskripsi
A persistent study on soft coral <i>Sarcophyton tortuosum</i> resulted in the characterization of two new cembranolides, tortuolides A and B (<b>1</b> and <b>2</b>), and a new related diterpene, <i>epi</i>-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 <i>J</i>-DP4 approaches. Anti-inflammatory and cytotoxicity activities were evaluated in this study.