Aetheramide Structure Elucidation

Plaza et al [1] isolated two new unusual depsipeptides, aetheramides A and B. Here we will discuss the computer-assisted structure elucidation (CASE) of aetheramide B (molecular formula C₄₁H₅₄N₂O₉) using ACD/Structure Elucidator.

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).

Studies aimed at the discovery of trace alkaloids in S. nux-vomica led Fu and co-workers to the isolation of Strynuxlines A and B, two novel alkaloids possessing an unprecedented skeleton with a 6/5/9/6/7/6 hexacyclic ring system. Here we will describe how Strynuxlines A (molecular formula C₂₃H₂₄N₂O₅) could be identified with the assistance of a CASE-based approach using ACD/Structure Elucidator Suite.

Wang and coworkers collected the branches and leaves of Croton laevigatus and performed an intensive chemical analysis. They isolated and elucidated structures of two diterpenoids, laevinoids A (molecular formula C₂₀H₂₂O₅) and B, which represent a new rearranged ent-clerodane scaffold with an unusual 3/5 bicyclic motif.

The authors' efforts focusing on lingzhi meroterpenoids from G. sinensis led to the isolation of a meroterpenoidal hybrid metabolite, called Sinensilactam A (molecular formula C₂₀H₂₁NO₈), which contains a rare 2H-pyrrolo[2,1-b][1,3]- oxazin-6(7H)-ring system.

Ruthmycin (molecular formula C₂₁H₂₂O₇) possesses an unprecedented signature C3 bridge and a corresponding fused six-member ring. In the context of known frenolicin-type scaffolds, the presence of a C-3/C-4 double bond is also unprecedented.

Delicoferone A The fungi that colonize and reproduce in animal excrements are called Coprophilous fungi. They have specifically adapted to colonize in that environment, however, they can also be found on plants and soils when their spores are dispersed there. Jayanetti at co-workers [1] investigated cultures of such a fungus, the ex-type strain of Delitschia...

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.

Okpekon et al isolated an unusual new indanone from the shrub Uvaria afzelii Scot Elliot, grown in the West African sub-region, named afzeliindanone. The molecular formula is C₁₆H₁₄O₃.