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ACD/Labs Blog

Mikhail Elyashberg
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.

Mikhail Elyashberg
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.

Mikhail Elyashberg
Wang et al. reported the discovery of 12 new analogs of abyssomicin as metabolites of the Streptomyces species. Amongst them Abyssomicin W (molecular formula C20H26O8) has an 8/6/6/6 tetracyclic core. Spectroscopic data of this compound were used to challenge ACD/Structure Elucidator Suite.

Mikhail Elyashberg
Chen et al have been looking for novel secondary metabolites from Trichoderma gamsii, a plant endophytic fungus. As a result of this a new polyketide trichoderpyrone (molecular formula C15H17NO5), containing a unique cyclopentenone−pyrone hybrid skeleton was isolated and its structure was determined by detailed analysis of NMR data.

Mikhail Elyashberg
Song et al investigated the chemical constituents of the fruit of S. incarnata. They isolated five novel spirocyclic compounds, spiroschincarins A−E, featuring a unique 1-oxaspiro[6.6]tridecane moiety. Their structures, with absolute configurations, were determined by extensive spectroscopic studies. The structure elucidation of spiroschincarin A (molecular formula C31H38O11) from NMR data was used for challenging ACD/Structure Elucidator.

Mikhail Elyashberg
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.

Mikhail Elyashberg
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...

Dimitris Argyropoulos
PANIC 2017 took place at the Sonesta Resort in Hilton Head Island, SC, a few weeks ago. We knew we were in for a treat when we landed in bright sunshine at Savannah airport—quite a contrast from the cold and snow of Toronto. We realized things were a little bit …different in Hilton Head Island when the shuttle driver told us that yes, there are alligators here and we should be a bit careful when walking next to standing water. In fact we saw a couple of them next to the water in ponds on the way to the venue.

Mikhail Elyashberg
The fungus Phomopsis sp. TJ507A was recently analyzed by Hu and co-workers. Two functionalized ergostane-type steroids, phomopsterones A and B were isolated. Phomopsterone A (molecular formula C29H42O6) was chosen for challenging Structure Elucidator.

Mikhail Elyashberg
Y.-B. Zhang and co-workers reported four novel matrine-based alkaloids, sophalines A-D. Their structures were elucidated using spectroscopic methods and single-crystal X-ray diffraction. We used the Spectroscopic data for Sophaline C (molecular formula C21H26N2O2) to challenge Structure Elucidator.