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Canumycin C Structure Elucidation

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The complex and unusual structure of Canumycin C (molecular formula C25H26Cl2O6) was determined with Structure Elucidation Suite in 12 minutes. Of note, is that when the evident three carbonyl groups were drawn manually in the MCD, the same 107 structures were generated in 40s, demonstrating the usefulness of imposing constraints that cannot lead to mistaken solutions.

Predicting pKa isn’t just computational, it’s about understanding chemical behavior. Learn about the science behind pKa, how different pKa predictors work, and how ACD/Labs’ tools help chemists and regulators anticipate molecular behavior before synthesis or testing begins.

Optimizing chromatography ensures accurate, reproducible, high-resolution methods. Fine-tuning parameters like stationary phase, mobile phase, and instrument settings enhance method performance. Software tools for simulation, optimization, and method transfer simplify development, create robust methods, and ensure efficient analysis across systems.

Scientists at Merck published an article about using ChromGenius to predict retention times of new compounds. Abstract We introduce a new workflow that relies heavily on chemical quantitative structure-retention relationship (QSRR) models to accelerate method development for micro/mini-scale high-throughput purification (HTP). This provides faster access to new active pharmaceutical ingredients (APIs) through high-throughput experimentation (HTE)....

Correlation of chemical structures with chromatographic peak retention times—just one way ACD/Labs offers a head start in faster method development Toronto, ON, Canada (June 17, 2012)—With the announcement of new ACD/Chrom Workbook—part of the ACD/Spectrus chemical and analytical knowledge management portfolio—and release of a new version of ACD/AutoChrom, ACD/Labs brings version 2012 of its software...

CEAP Initiative Makes Chemical Drawing Package Available to Schools Toronto, Canada (May 19, 2009)—As part of their 15th anniversary celebrations, Advanced Chemistry Development, Inc., (ACD/Labs) has launched a new program in which they will provide site-wide licenses of their chemical structure drawing package, ACD/ChemSketch Freeware, to academic institutions. While many institutions have benefited from academic...

Version 12 of the popular chemical drawing software is now available for download on the ACD/Labs website. Toronto, Canada (March 5, 2009)—Advanced Chemistry Development, Inc., (ACD/Labs) developers of expert chemistry software, recently marked the one millionth download of their free chemical drawing package, ACD/ChemSketch Freeware. Now, the newest version of ChemSketch Freeware is available for...

The authors identified the structure of Salvicatone A in two stages, the second step being the use of Structure Elucidator Suite to validate the proposed structure.

Toronto, Canada (Dec. 17, 2010)—ACD/IXCR, ACD/Labs’ Intelligent Compound Recognition software, is being embraced by wastewater analysts for its non-targeted analyte detection and identification capabilities. It is particularly effective in aiding risk assessments and solving water emergencies quickly. This approach circumvents manual data interpretation, reducing the potential for error and affording analysts more time to focus...