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

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

A persistent study on soft coral resulted in the characterization of two new cembranolides, tortuolides A and B ( and ), and a new related diterpene, -sarcophytonolide Q. Their structures were determined not only by extensive spectroscopic analysis but also by DFT calculations of ECD and NMR data, t...

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Veröffentlicht in:Marine drugs 2022-04, Vol.20 (5), p.297
Hauptverfasser: Chao, Chih-Hua, Lin, Kuan-Hua, Huang, Chiung-Yao, Hwang, Tsong-Long, Dai, Chang-Feng, Huang, Hui-Chi, Sheu, Jyh-Horng
Format: Artikel
Sprache:eng
Schlagworte:
Corals
Cytotoxicity
DP4
epi-sarcophytonolide
Geometry
Inflammation
J-DP4
Leukemia
NMR
Nuclear magnetic resonance
Sarcophyton tortuosum
Statistical analysis
Statistical methods
tortuolide A
tortuolide B
Toxicity
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Zusammenfassung:A persistent study on soft coral resulted in the characterization of two new cembranolides, tortuolides A and B ( and ), and a new related diterpene, -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 -DP4 approaches. Anti-inflammatory and cytotoxicity activities were evaluated in this study.
ISSN:1660-3397
1660-3397
DOI:10.3390/md20050297