取代基对帕特里斯卡布林A和莴苣素A碱性的影响：进化青睐芳香性？
Substituent Effects on the Basicity of Patriscabrin A and Lettucenin A: Evolution Favors the Aromatic?
作者信息
Prasad Supreeth, Tantillo Dean J
机构信息
Department of Chemistry, University of California, Davis, Davis, California 95616, United States.
出版信息
ACS Omega. 2021 Oct 29;6(44):29685-29691. doi: 10.1021/acsomega.1c04051. eCollection 2021 Nov 9.
Abstract
Basicities for derivatives of patriscabrin A and lettucenin A were calculated with density functional theory. A significant correlation is observed between the basicity and Hammett σ parameters. Protonation increases the aromatic character of the cyclic moieties of each natural product. The naturally occurring structures are predicted to be the most aromatic.
摘要
利用密度泛函理论计算了帕特里斯卡布林A和莴苣素A衍生物的碱度。观察到碱度与哈米特σ参数之间存在显著相关性。质子化增加了每种天然产物环状部分的芳香性。预测天然存在的结构具有最高的芳香性。
Zotero 插件