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ACD/Labs Blog

Mikhail Elyashberg
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.

Sanji Bhal
Studying chemistry can open up many career paths since it can be applied in a variety of fields. In fact, an understanding of chemistry helps provide answers to almost every question about the world and helps makes us more informed consumers. To support students pursuing a career in chemistry, ACD/Labs recently collaborated with Pearson to help undergraduate students learn about the relationship between spectroscopic data and chemical structures.

Mikhail Elyashberg
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.

Mikhail Elyashberg
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.

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

Mikhail Elyashberg
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.

Daria Thorp
As 2017 comes to an end, Daria Thorp, President and CEO of ACD/Labs, looks back the company's 23 year history, and recounts some of its notable solutions, including ACD/Spectrus, ACD/Name and ACD/Percepta. She also discusses Luminata, ACD/labs' award winning impurity control informatics solution, which was introduced earlier this year.

Mikhail Elyashberg
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.

Mikhail Elyashberg
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).