Structure Elucidator Suite Archives - Page 8 of 21

Leonuketal Structure Elucidation

Mikhail Elyashberg Aug 1, 2020

Leonuketal Leonurus Japonicus is a plant that is used in common traditional Chinese medicine. In fact, the aerial parts of it are in the Chinese Pharmacopoeia. Many diterpene metabolites have been discovered on plants of the same genus, with the common characteristics of the furanolabdane class. This class has been found to have interesting bioactivities...

Structure Elucidation—3 Most Common Challenges with CASE and How to Approach Them

ACDLabs Jul 15, 2020

In this 45-minute webinar we will cover the typical workflow of CASE: generating MCD, options for structure generation, and ranking of results; in addition to the common problems of the technique: Non-Standard Correlations, spectral ambiguity/deficiency, and symmetry, along with the best approaches to overcome.

Lucidumone Structure Elucidation

Mikhail Elyashberg Jul 1, 2020

Lucidumone Meroterpenoids are natural products containing a terpenoid and a non-terpenoid part. There have been many classes of such compounds isolated and characterized so far, from various natural sources, several of which have been found to have a wide range of biological activities. Meroterpenoids from various fungi usually show considerable biological activity and for this...

Vagiallene

Mikhail Elyashberg May 1, 2020

E. Ioannou et al have developed an integrated metabolomic platform for the identification of known compounds and detection of new metabolites at the early stages of phytochemical analysis. Vagiallene was isolated through a series of chromatographic separations, molecular formula C₁₅H₁₅Br₂O₅.

Spiroaxillarone A

Mikhail Elyashberg Apr 1, 2020

Spirobisnaphthalenes are a relatively new and rare family of secondary metabolites. Their core structure usually consists of two bicyclo[4.4.0]decane units, connected with one another through at least one spiro center. The reported compound is a novel symmetric spirobisnaphthalene with a unique structural feature. Spiroaxillarone A, molecular formula C₁₉H₁₂O₆.

Application of Multidimensional NMR Spectroscopy and Predicted NMR Databases for the Deconvolution and Analysis of Chlorinated Paraffin Mixtures

ACDLabs Mar 16, 2020

Here, we report the use of multidimensional NMR predicted spectral databases to elucidate the various isomers in a chlorinated paraffin mixture.

Generating 3D Models Using NOESY/ROESY Data in Structure Elucidator

ACDLabs Feb 11, 2020

This webinar will address how to use 1D and 2D NOESY/ROESY spectra to generate possible stereoisomers from a flat structure, and how to elucidate the ‘best 3D structure’ in agreement with your NMR data.

CASE Study for an Undergraduate Organic Chemistry Class

ACDLabs Feb 7, 2020

This article examines the use of ACD/Structure Elucidator to facilitate the teaching of NMR spectroscopic principles and its application in de novo structure elucidation of large complex organic molecules in an upper level organic chemistry class.

Current & Future Capabilities of NMR Spectroscopy in 3D Structure Elucidation

Yalda Liaghati Nov 7, 2019

There are numerous ways that the 3D structure of a molecule can be elucidated, including the use of our own ACD/Structure Elucidator software. I had the chance to sit down with Dimitris Argyropoulos, our NMR Business Manager, after SMASH 2019 and discuss 3D structure elucidation and the technology involved in its current and future use.

Chloraserrtone A Structure Elucidation

Mikhail Elyashberg Oct 1, 2019

Chloraserrtone A, a new sesquiterpenoid dimer with two lindenane-type sesquiterpenoid monomers bridged by two six-membered rings, was isolated from Chloranthus serratus by Bai et al. It represents the first lindenane-type sesquiterpenoid dimer with an extremely unique skeleton, molecular formula C₃H₃₆O₉.

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