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ACD/Labs Blog

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.

There are a number of common misconceptions about software in validated environments. Many arise because previous deployments of software accompanied the installation of new hardware, or have involved informatics systems that are the source of data and reports submitted directly to regulatory authorities. Here we clear up some of the grey areas that seem to have become industry myths.

Drawing Effective Chemical Structures with ChemSketch Drawing the perfect chemical structures and reaction schemes is essential to scientific communication, whether preparing a patent or finishing a lab report. You want every angle and bond to look perfect, but you don’t want to spend hours fussing over every detail. Luckily, ChemSketch is here to help. This...

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.

Chemical nomenclature may seem like a simplistic chemistry discipline; a requirement of every chemical pursuit that is often overlooked for the vital importance it plays. Here we discuss the legacy of our contribution to the field of chemical nomenclature - ACD/Name - and take a look at what has changed in the field of chemical naming over the past two decades.

Understand the acronyms and abbreviations of the field of NMR. Explore general and experiment-specific acronyms in this essential guide.

Sonnenschein et al. investigated the fungus Pseudoalteromonas piscicida S2040 to yield pseudochelin A - a new siderophore containing a 4,5-dihydroimidazole moiety. This challenging structure containing eight heteroatoms (three atoms of nitrogen and fife atoms of oxygen) was elucidated by Structure Elucidator fully automatically in 1.5 seconds.