三萜类
自然(考古学)
化学
结构化学
立体化学
计算机科学
生物
古生物学
结晶学
作者
Estela Guerrero De León,Hugo Alexis Sánchez-Martínez,Juan Morán-Pinzón,Esther del Olmo,José Luis López-Pérez
标识
DOI:10.1021/acs.jnatprod.2c01135
摘要
A considerable number of natural products have been published in recent years with misassigned structure, even though they had been correctly elucidated in the past. The availability of databases containing revised structures can prevent the amplification of errors in structural elucidation. NAPROC-13, a dereplication tool based on the 13C chemical shift, has been used to search for substances that, possessing the same chemical shifts, have been described with different structures. The correct structure of these different structural proposals is verified by computational chemistry. This paper reports the structural revision of nine triterpenoids following this methodology.
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