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ISO10993-18:2020—Simplifying the Chemical Characterization of Medical Device Materials

The collaboration represents MilliporeSigma’s joint steps toward breakthrough innovation to make research and quality control in the lab more efficient and sustainable. The new ChemisTwin™ platform combines ACD/Labs’ industry-leading NMR predictors with MilliporeSigma’s digital reference materials (dRMs).  Baveno, ITALY (September 18, 2023)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today...

For more than a decade, ACD/Structure Elucidator has been used by industry and academic experts to help solve some of the toughest structure problems. Using data from various analytical techniques (NMR, MS, UV, and IR) Structure Elucidator can propose chemical structures that are consistent with ALL available analytical data.

This month we re-visit the example of structure revision of Epohelmin A with structure revision utilizing ACD/Structure Elucidator Suite, which demonstrates how the software allows a researcher to avoid complex multi-stage synthesis to refute a wrong proposed structure and prove the revised one.

Due to their broad peaks and wide range of chemical shifts in 1H NMR spectra, exchangeable protons are known to pose challenges in NMR interpretation, but collecting 2D spectra and selecting proper experimental conditions can sometimes be used in our favor to learn more.

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

An unexpected synthetic product coming from Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) in Berlin, from the lab of Dr. Marc Nazaré. The dataset was provided to ACD/Labs as part of our Structure Elucidation Suite Challenge. The product was isolated after a reaction and it was found by HR-MS to have a molecular formula of C14H13N3O.