Assignment of the absolute configuration of fischerin by computed nmr chemical shifts
Assignment of the absolute configuration of fischerin by computed nmr chemical shifts
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DOI：
10.1134/s0022476615070148
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发表时间：
2015-12-01
影响因子：
0.8
通讯作者：
Amini, S. K.
中科院分区：
文献类型：
--
作者：
Amini, S. K.
在C19、C20、C21和C22中提取的对哺乳动物的有毒代谢物C19、C20、C21和C22中的未分配构型分别归属为R和S。在这个任务中，进行了大量的从头计算，然后是化学位移计算。为了找到这里所示的正确构型，计算的化学位移与实验的化学位移相关联。
The unassigned configurations of a toxic metabolite to mammals extracted from Neosartorya fischeri (fischerin) in C19, C20, C21, and C22 are assigned as R, R, R, and S, respectively. In this assignment, the extensive ab initio calculations followed by chemical shift computations are performed. Computed chemical shifts are correlated to experimental ones in order to find the correct configuration shown here.