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ACD/Labs Blog

The analysis of C. rotalaria extracts by UHPLC-MS in conjunction with database searching led to the isolation and structure elucidation of a series of new taurine-conjugated anthraquinones, including Comatulin A, molecular formula C20H19NO10S.

What is this chemical? This is a problem for scientists since the discovery of the elements. For the modern chemist, software tools can help solve this problem. Computer assisted structure elucidation (CASE) is one of the most powerful and versatile tools available when determining chemical structures. Join Charis and Jesse as they discuss the past,...

Toronto, CANADA (Mar. 18, 2022)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced that Pharmaron Inc. has chosen to equip their scientists with ACD/Labs’ industry leading NMR processing and interpretation software. Among the applications adopted by Pharmaron is ACD/Structure Elucidator Suite, bringing computer assisted structure elucidation into their analytical...

A rich source of cembrane-type metabolites has been found to be Lobophytum crassum, a soft coral from the family of Alcyoniidae. Among five new cembrane derivatives that were isolated is Lobocrassin A, molecular formula C20H29ClO4.

Jin et al studied the novel analgesics used in traditional Chinese medicine and as part of this they isolated and elucidated the structure of a novel triamine monoterpene indole alkaloid, Gelstriamine A, molecular formula C22H27N3O5.

Asperspiropene A was first reported by He et al as the second derivative of a class of compounds containing a unique six-membered ring substructure. The molecular formula was determined from the HR-MS spectrum to be C17H26O8.

Iridiod Glycoside Clerodendrum (Lamiaceae) is a genus composed of 580 species. It is found in tropical and subtropical regions and mainly includes small trees, shrubs, and herbs. Many members of the genus havebeen used in traditional medicine around the world. C. myricoides is a shrub with bluish flowers that has been used extensively in traditional...

30 years after the structure of lyaline was first proposed, a new spectroscopic analysis was performed using state-of-the-art techniques to reveal errors in the original analysis, and eventually, the correct structure.