期刊
TETRAHEDRON
卷 69, 期 48, 页码 10351-10356出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.tet.2013.10.004
关键词
Absolute configuration reassignment; DFT; Chiroptical spectroscopy; Transition state; X-ray
资金
- Hebei University
The configuration of (-)-brevianamides was assigned as (2S,13S) based on X-ray structure analysis and hydrolysis experiments. However, our theoretical investigation of its chiroptical properties strongly implied that the correct configuration should be (2R,13R). The reasons for the incorrect earlier assignment are analyzed by calculations of conversion energy barriers among different intermediates, starting materials and final products. This study demonstrates that conflicting theoretical and, experimental results suggest that it is premature to assign the configuration of a natural product. (C) 2013 Elsevier Ltd. All rights reserved.
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