Molecules (Sep 2023)

Four New Diterpenoids from the South China Sea Soft Coral <i>Sinularia nanolobata</i> and DFT-Based Structure Elucidation

  • Dan-Dan Yu,
  • Lin-Mao Ke,
  • Jiao Liu,
  • Song-Wei Li,
  • Ming-Zhi Su,
  • Li-Gong Yao,
  • Hui Luo,
  • Yue-Wei Guo

DOI
https://doi.org/10.3390/molecules28196892
Journal volume & issue
Vol. 28, no. 19
p. 6892

Abstract

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Three new cembranoids (1–3) and a new casbanoid (4), along with three known analogues (5–7), have been isolated from the soft coral Sinularia nanolobata collected off Ximao Island. The structures, including the absolute configurations of new compounds, were established using extensive spectroscopic data analysis, time-dependent density functional theory/electronic circular dichroism (TDDFT-ECD) calculations, and the comparison with spectroscopic data of known compounds. In the in vitro bioassay, compounds 1 and 5 exhibited moderate cytotoxic activities against human erythroleukemia (HEL) cell lines, with IC50 values of 37.1 and 42.4 μM, respectively.

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