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

Molecules. 2023 Sep 30;28(19):6892. doi: 10.3390/molecules28196892.

Abstract

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.

Keywords: Sinularia nanolobata; cytotoxicity; marine natural product; structure elucidation.

MeSH terms

  • Animals
  • Anthozoa* / chemistry
  • Cell Line, Tumor
  • China
  • Diterpenes* / chemistry
  • Diterpenes* / pharmacology
  • Humans
  • Molecular Structure

Substances

  • Diterpenes