Vibrational circular dichroism study for natural bioactive schizandrin and reassignment of its absolute configuration |
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| Authors: | Ping He Xiangfen Wang Xiujie Guo Yannan Ji Chuanqi Zhou Shigang Shen Dongbao Hu Xiaolong Yang Duqiang Luo Rina Dukor Huajie Zhu |
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| Institution: | 1. Chinese Center for Chirality, Key Laboratory of Medicinal Chemistry and Molecular Diagnostics of Education Ministry of China, College of Pharmacy Science, Hebei University, Baoding 071002, China;2. Key State Laboratory of Phytochemistry and Plant Resource in West China, 650204 Kunming, China;3. BioTools Inc, 17546, BeeLine Hwy, Jupiter, FL 33458, USA |
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| Abstract: | Bioactive natural product (+)-schizandrin was assigned as (7S,8S) using NMR. Recently, we obtained (+)-schizandrin from TCM Schisandra sphenanthera Rehd. et Wils. Its planar structure was well established using NMR and HR-MS including the reported references. Its absolute configuration is assigned using vibrational circular dichroism (VCD). By careful VCD investigation of (7S,8S) and (7S,8R) using B3LYP/6-311+G(d) methods, absolute configuration of (+)-schizandrin is assigned as (7S,8R). Electronic circular dichroism (ECD) was used for the discussion too and it gave the same conclusion. |
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| Keywords: | Absolute configuration Schizandrin VCD ECD |
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