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ACD/Labs Blog

Joel Michalski
CASE is a powerful approach for elucidating complex chemical structures. In this article, Mikhail Elyashberg and Dimitris Argyropoulos discuss the most likely directions in which CASE will evolve based on its synergistic relationship with advances NMR experiments and computational chemistry.

Yalda Liaghati
In the absence of in person events we are finding opportunities to meet virtually, such as our first Virtual NMR Software Symposium held just a few weeks ago. I really enjoyed meeting with fellow NMR specialists and wanted to share some of the key concepts and takeaways from the presentations given.

Dimitris Argyropoulos
Symmetric Helical Synthesis Product This month’s problem is again a bit different from the others. It comes from the Department of Chemistry, University of Bath, UK. John Lowe had been trying to challenge Structure Elucidator and asked his colleagues at the Department for interesting problems. David Carbery gave him two synthetic samples, A and B,...

Mikhail Elyashberg
Melohemsine J The plants of the genus Melodinus (Apocynaceae) include 53 species and several of them have been used in traditional Chinese medicine. They can be found in regions of southern China and, together with the Loganiaceae and Rubiaceae families they are known to contain many monoterpenoid indole alkaloids. For these reasons they have been...

Mikhail Elyashberg
Hypocrolide A A particular type of sesquiterpenoids are botryanes. The have the same basic skeleton of a bivyvliv nonisoprenoid system. They have only been found in a few fungal species, including the pathogen Botrytis cinereal, a necrotrophic plant. Since they are sesquiterpene metabolites they expected, and they do show, various biological activity. Yuan at al...

Mikhail Elyashberg
Leonuketal Leonurus Japonicus is a plant that is used in common traditional Chinese medicine. In fact, the aerial parts of it are in the Chinese Pharmacopoeia. Many diterpene metabolites have been discovered on plants of the same genus, with the common characteristics of the furanolabdane class. This class has been found to have interesting bioactivities...

Mikhail Elyashberg
Lucidumone Meroterpenoids are natural products containing a terpenoid and a non-terpenoid part. There have been many classes of such compounds isolated and characterized so far, from various natural sources, several of which have been found to have a wide range of biological activities. Meroterpenoids from various fungi usually show considerable biological activity and for this...

Mikhail Elyashberg
E. Ioannou et al have developed an integrated metabolomic platform for the identification of known compounds and detection of new metabolites at the early stages of phytochemical analysis. Vagiallene was isolated through a series of chromatographic separations, molecular formula C15H15Br2O5.