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Implementing software on the ACD/Spectrus Platform simplifies the IT landscape and provides essential analytical data handling tools for leading pharmaceutical company. Toronto, CANADA (Nov. 30, 2016)—ACD/Labs, an informatics company that develops and commercializes solutions in support of chemical and pharmaceutical R&D, today announced that Boehringer Ingelheim, a leading pharmaceutical company,  chose to deploy ACD/NMR Workbook...

The vendors will combine their expertise in informatics technology, analytical data, and high throughput experimentation (HTE) to enable cross-platform information sharing for automated high throughput data analysis of hyphenated chromatography, and mass spectral data. Houston, TX (June 5th, 2023)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, and Virscidian, a provider...

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.

Two heterodimers comprising an anthraquinone moiety linked to a 3-methylbenzodihydroisocoumarin unit were isolated from P. kaurabassana tubers. The NMR spectroscopic data presented therein were used by us to challenge the ACD/Structure Elucidator system, by attempting to successfully elucidate structure 1 (molecular formula C31H24O10).

Callyspongiolide Macrolides have been reported from various marine macroorganisms, but are especially prominent for marine sponges. Many macrolides display potent anti-proliferative properties against cancer cells, making them promising leads for the development of new chemo-therapeutic agents. Due to their unusual structures and pronounced bioactivity, these compounds continue to be exciting targets for realizing a total...

The immense amount of analytical information generated daily puts analytical data management at the core of every R&D organization. Combining, organizing, accessing, and mining all this scattered and disparate data is a huge challenge faced by scientists every single day. To overcome this challenge, a leading international tobacco company decided they needed to make their...

During screenings for new secondary metabolites from fungi originating from the South China Sea, Luo and co-workers isolated 10 anthraquinone compounds, including eight new anthraquinones regarded as emodacidamides A−H. Structures of these compounds were elucidated, and the NMR data utilized for the structure elucidation of emodacidamide A (molecular formula C21H19NO8) were used by us to challenge ACD/Structure Elucidator.

The ethyl acetate layer of T. matsutake was fractionated and purified by repeated chromatographic methods to yield the white powder matsutakone, molecular formula C28H44O4. The structure of Structure of matsutakone was elucidated from its molecular formula and 1D and 2D NMR data shown in Table 1, which were used by us for challenging ACD/Structure Elucidator.

Shaker et al. recently reported the isolation of Dichocetide D from the marine fungus Dichotomomyces cejpii under oxygen stress conditions. The structure of Dichocetide D was revised by Elyashberg et al on the basis of chemical considerations and utilization of ACD/Structure Elucidator.

The herb Radix Glycyrrhizae has been used as a traditional Chinese medicine for more than a thousand years. Zhao et al isolated a novel symmetrical cyclooctenone compound and elucidated its structure (molecular formula C23H34O4).