What is it about?
The elucidated structure of asperjinone was revised using a CASE system, a computer-assisted structure elucidation software platform called Structure Elucidator.
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Why is it important?
Incorrect structures elucidated by manual approaches and reported in the literature are quite common and this example is one of many. Computer-assisted structure elucidation approaches can often outperform NMR spectroscopists now.
Read the Original
This page is a summary of: Structure Revision of Asperjinone Using Computer-Assisted Structure Elucidation Methods, Journal of Natural Products, January 2013, American Chemical Society (ACS),
DOI: 10.1021/np300218g.
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Resources
Our book regarding CASE systems published by RSC
We published a book about CASE systems with the Royal Society of Chemistry and this introduces the book
Structural revisions of natural products by Computer-Assisted Structure Elucidation (CASE) systems
This review revisits many compounds that have been incorrectly reported in the literature and were re-elucidated using computer-assisted structure elucidation approaches
Structural revisions of natural products by computer assisted structure elucidation systems
Full text of our review article regarding structural revisions of natural products by computer assisted structure elucidation systems
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