Lamellodysideol, a new flexible marine norditerpenoid from the Indonesian marine sponge .

One new acyclic norditerpenoid, lamellodysideol () was isolated from the Indonesian marine sponge together with known phytol (). The structure of was determined on the basis of spectral evidence and by comparison with known related molecules including optical rotation data. The relative configurations of and were proposed using quantum chemical calculation of NMR chemical shifts at DFT levels.

Stereochemical determination of NMR chemical shifts in marine terpenoids, antheliol and sangiangol B, using DFT calculations.

Stereochemical determination of the flexible trinor-guaiane sesquiterpenoid, antheliol () and the flexible diterpenoid, sangiangol B (), isolated from a marine soft coral, sp., was supported by quantum chemical calculations of NMR chemical shifts at DFT levels. The relative configuration of antheliol is now revealed, as 1, 4, 7, 10 as in , whereas sangiangol B () has complete stereochemistry as 1, 7, 8, 10, 11, 12.

Oxy-Polybrominated Diphenyl Ethers from the Indonesian Marine Sponge, : X-ray, SAR, and Computational Studies.

Polybrominated diphenyl ether (PBDE) compounds, derived from marine organisms, originate from symbiosis between marine sponges and cyanobacteria or bacteria. PBDEs have broad biological spectra; therefore, we analyzed structure and activity relationships of PBDEs to determine their potential as anticancer or antibacterial lead structures, through reactions and computational studies. Six known PBDEs (-) were isolated from the sponge, ; C NMR data for compound are reported for the first time and their assignments are confirmed by their theoretical C NMR chemical shifts (RMSE < 4.