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ACD/Labs Blog

Vagiallene A very large number of structurally diverse compounds have been isolated from members of the genus Laurencia over the past 60 years. More than 1050 secondary metabolites have been reported from the species and of mollusks grazing on them, sparking the interest of many scientists from multidisciplinary fields. E. Ioannou et al [1] have...

Spiroaxillarone A A phytochemical investigation of the aerial parts of C. axillaris led Wisetsai  at al [1] to the isolation of a new compound belonging to the spirobisnaphthalene family with an unprecedented skeleton, spiroaxillarone A (1). 1 Spirobisnaphthalenes are a relatively new and rare family of secondary metabolites. Their core structure usually consists of two...

There are numerous ways that the 3D structure of a molecule can be elucidated, including the use of our own ACD/Structure Elucidator software. I had the chance to sit down with Dimitris Argyropoulos, our NMR Business Manager, after SMASH 2019 and discuss 3D structure elucidation and the technology involved in its current and future use.

Reliable structure verification of candidate molecules is at the very core of any successful chemical discovery or development program. NMR provides unprecedented levels of information for unraveling the actual structure of compounds, and is an essential tool for chemists to confirm that they made what they intended to make. Read on to learn about ACD/Labs' efforts in the area of structure verification.