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The structure of janthinolide A was established using MS spectrometry in combination with 1D and 2D NMR data (molecular formula C23H32N2O7), however it was later amended with the use of Structure Elucidator Suite combined with DFT based NMR chemical shift prediction.

To understand the molecular mechanism underlying the genus-specificity of sperm chemotaxis of ascidians (a type of marine invertebrate filter feeders), Matsumori et al have investigated the structure of a novel compound Ascidia-SAAF 2 (molecular formula C27H44O10S2Na2) isolated from the eggs of the ascidian Ascidia sydneiensis.

The fungus Phomopsis sp. TJ507A was recently analyzed by Hu and co-workers. Two functionalized ergostane-type steroids, phomopsterones A and B were isolated. Phomopsterone A (molecular formula C29H42O6) was chosen for challenging Structure Elucidator.

In the study conducted by Chen et al manginoids A−G were isolated from G. mangiferae, and their structures elucidated. Manginoid A was assigned the molecular formula C17H22O5 based on its HR-ESI-MS spectrum, with a sodium adduct molecular ion peak at m/z 329.1378.

As a part of an ongoing research for SNTs from Schisandra micrantha, a minor SNT featuring a complex tetracyclo[5.4.0.02,4.03,7]undecane-bridged system, termed lancolide E, was isolated by Shi et al, molecular formula C29H32O10.

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...

Melohemsine J The plants of the genus Melodinus (Apocynaceae) include 53 species and several of them have been used in traditional Chinese medicine. They can be found in regions of southern China and, together with the Loganiaceae and Rubiaceae families they are known to contain many monoterpenoid indole alkaloids. For these reasons they have been...

MS and NMR are complementary elucidation tools. Knowing when to apply the correct tool can facilitate the elucidation process. Compounds with bromine atoms exhibit a distinct ion pattern on a mass spectrum. The A+2 peak for a monobrominated compound appears at almost identical intensity to the 79Br peak due to the presence of 81Br (~49.3%...

The best use of a set of tools for a structure elucidation are those that have a general target or goal in mind. Random experiments for the sake of collecting data are a sure sign of inexperience. With that said, Infrared (IR) spectroscopy is a great tool for identifying or confirming a functional group(s). It...

Like bromine, compounds that contain chlorine atoms have a distinct ion pattern on a mass spectrum. The A+2 peak for a monochlorinated compound will be at almost one-third the intensity to the 35Cl peak due to the presence of 37Cl isotope. A compound with two chlorine atoms will show distinct A+2 and A+4 peaks with...