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ACD/Labs Blog

Mikhail Elyashberg
The example of Cyathstrine A (molecular formula of C25H34O7) shows that the structure of a complex polycyclic natural product containing seven oxygen atoms was unambiguously determined using Structure Elucidator in a fully automatic mode almost instantly.

Mikhail Elyashberg
The structure elucidation of Biatractylonoid D (molecular formula C30H38O5) was carried out using 1D and 2D NMR (HSQC, HMBC and COSY) data in combination with comparison with spectra of similar compounds (biatractylonoids A-C).

Sanji Bhal
In 2019 Pfizer set out to create a knowledgebase of analytical data to empower their scientists with easily accessible data, timely responses to regulatory inquiries, and to improve the flow of information across R&D. Read about their continuing data digitalization journey.

Mikhail Elyashberg
The structure of Verrucosin C (C29H41O7S−) was quickly and unambiguously elucidated using Structure Elucidator in fully automatic mode. This was possible due to the comprehensiveness of the initial data set provided, including 2D NMR spectroscopic data.

Bara Townsend
Discover how modern labs can streamline NMR, MS, chromatography, and IR workflows with web-based tools. Learn how Spectrus Processor JS can enable flexible, multi-technique chemical data analysis, reducing IT burden, improving efficiency, and letting scientists prioritize data interpretation and decision-making.

Daria Thorp
Revvity Signals’ planned acquisition of ACD/Labs brings together two leading scientific software portfolios, promising deeper integration, expanded workflows, and enhanced data, automation, and analytical capabilities to better support chemistry, pharmaceutical R&D, and end-to-end scientific decision-making.

Mikhail Elyashberg
According to Crew’s rule, if the ratio of the number of hydrogen atoms to the number of skeletal atoms in a molecule is less than one, then significant difficulties typically arise in elucidating the structure using one- and two-dimensional NMR spectroscopy. It was interesting to see how ACD/Structure Elucidator handles this problem in an “ab initio” mode with Spiromastixone Z4 (molecular formula C20H19Br3O5).

Bara Townsend
Andrius Sazonovas, ACD/Labs Head of Development of Percepta, shares the key takeaways from the annual PhysChem Forum meeting that brings together scientists from industry and academia to discuss physical chemistry, ADME and toxicity.

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