Gymnopalyne A Structure Elucidation

In searching for novel antibiotics, Thongbai et al have focused on tropical basidiomycetes from Asia. The research led to the isolation of unprecedented antimicrobial metabolite Gymnopalynes A (molecular formula C₁₂H₇O₂Cl). Though the molecule is small and relatively simple, elucidation of its structure is not straightforward. With this in mind we used this problem to illustrate some nuances associated with utilization of ACD/Structure Elucidation.

In search for bioactive compounds from the mushroom Stropharia rugosoannulata, Wu et al discovered four novel steroids named strophasterols A, B, C, and D which contained a very unique and unprecedented carbon skeleton. Here we will describe the computerized structure determination of Strophasterol A (molecular formula C₂₈H₄₄O₄).

4-Bromobenzoic-biscognienyne A (molecular formula C₂₃H₂₅O₄Br) is relatively simple but its elucidation was chosen as a demonstrated approach, using ACD/Structure Elucidator, in situations where several equiprobable user assumptions ("axioms") should be checked to determine the right structure.

After reverse-phase fractionation of Aspergillus sp., a new nitro depsi-tetrapeptide diketopiperazine, waspergillamide A (molecular formula C₂₀H₂₄N₄O₇), was isolated along with the known metabolites. The structure elucidation of it is described here.

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).

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.

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.