The Case for CASE—Saving Time and Effort with Computer-Assisted Structure Elucidation in Routine Analysis
18 Nov 2014
Too often, the elucidation of unknown structures, especially those with novel moieties found in natural products, results in incorrect initially published structures. In many cases, this could be avoided by employing Computer-Assisted Structure Elucidation (CASE) methods alongside the original investigations. This application note applies standard CASE methods to one recent example, and also shows how ACD/Structure Elucidator Suite can determine the best structure.