瑞米孢菌素A和B的绝对构型。
Absolute configuration of remisporines A & B.
作者信息
Sherer Edward C, Cheeseman James R, Williamson R Thomas
机构信息
Structural Chemistry, Merck Research Labs, 126 E. Scott Avenue, Rahway, NJ 07065, USA.
出版信息
Org Biomol Chem. 2015 Apr 14;13(14):4169-73. doi: 10.1039/c5ob00082c. Epub 2015 Mar 4.
The absolute configuration of remisporine B was determined based on a comparison of experimental and calculated electronic circular dichroism (ECD) spectra. Density functional theory (DFT) was used to calculate the ECD spectra varying the parameter controlling the number of calculated electronic transitions. Mapping the reaction surface provided support for the proposed Diels-Alder dimerization of remisporine A to form remisporine B.
基于实验电子圆二色光谱（ECD）与计算得到的ECD光谱的比较，确定了瑞米孢菌素B的绝对构型。采用密度泛函理论（DFT）计算ECD光谱，并改变控制计算电子跃迁数目的参数。对反应表面的映射为所提出的瑞米孢菌素A通过狄尔斯-阿尔德二聚反应形成瑞米孢菌素B提供了支持。
Zotero 插件