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Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum.

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.

SUBMITTER: Chao CH

PROVIDER: S-EPMC9147035 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature

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Computationally Assisted Structural Elucidation of Cembranoids from the Soft Coral Sarcophyton tortuosum.

Chao Chih-Hua CH Lin Kuan-Hua KH Huang Chiung-Yao CY Hwang Tsong-Long TL Dai Chang-Feng CF Huang Hui-Chi HC Sheu Jyh-Horng JH

Marine drugs 20220427 5

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 act ...[more]

PMID: 35621948

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