Skip To Content

ACD/Labs Blog

As part of an ongoing search for new bioactive natural products from the genus Pentas, Abdissa et al isolated three new naphthalenes  from the roots of P. bussei including 2,2′-binaphthralenyl-1,1′-dione, molecular formula C32H28O6.

Honmura and co-workers isolated epoxyroussoenone and used calculated 13C and 1H chemical shifts, NOE data and ECD spectra analysis to define the most probable geometrical and stereoisomer, molecular formula C15H14O7.

Coniothyrione is a natural product with a molecular formula of C14H9ClO6. The ratio of the number of heavy atoms to hydrogen is 2.3 indicating an especially challenging structure elucidation.

Aquatolide is a humulane-derived sesquiterpenoid lactone isolated from Asteriscus aquaticus. The structure of aquatolide (molecular formula C15H18O3) contained an extremely rare ladderane substructure.

In a search for novel anti-inflammatory bioactive drug leads from this plant, Su at al isolated from its roots a novel tetrahydrofuran lignan named zanthplanispine, molecular formula C21H22O8.

In the study conducted by Chen et al manginoids A−G were isolated from G. mangiferae, and their structures elucidated. Manginoid A was assigned the molecular formula C17H22O5 based on its HR-ESI-MS spectrum, with a sodium adduct molecular ion peak at m/z 329.1378.

In the search for novel MT receptor agonists from natural sources, Geng at al used LC-MS to study U. rhynchophylla,, resulting in the isolation of two pairs of dimeric isoechinulin-type enantiomers, (±)-uncarilin A and (±)-uncarilin B. Here we discuss the structure elucidation of uncarilin A (molecular formula C38H42N6O4).

The ethyl acetate layer of T. matsutake was fractionated and purified by repeated chromatographic methods to yield the white powder matsutakone, molecular formula C28H44O4. The structure of Structure of matsutakone was elucidated from its molecular formula and 1D and 2D NMR data shown in Table 1, which were used by us for challenging ACD/Structure Elucidator.

During screenings for new secondary metabolites from fungi originating from the South China Sea, Luo and co-workers isolated 10 anthraquinone compounds, including eight new anthraquinones regarded as emodacidamides A−H. Structures of these compounds were elucidated, and the NMR data utilized for the structure elucidation of emodacidamide A (molecular formula C21H19NO8) were used by us to challenge ACD/Structure Elucidator.