Assignment of the Absolute Configuration of Concentricolide - Absolute Configuration Determination of Its Bioactive Analogs Using DFT Methods
Ren, Jie2; Jiang, Ju-Xing2,3; Li, Liang-Bo2,3; Liao, Tou-Geng2,3; Tian, Ren-Rong1; Chen, Xu-lin1; Jiang, Si-Ping4; Pittman, Charles U., Jr.5; Zhu, Hua-Jie2
2009-08-01
发表期刊EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
期号23页码:3987-3991
摘要The configuration of concentricolide was assigned as (S). The configuration of its three analogs, which have anti-HIV-1 activity, were predicted by optical rotation values obtained by the B3LYP/aug-cc-pVDZ//B3LYP/6-31+G(d) and B3LYP/aug-cc-pVDZ//MP2/6-311+G(d) methods. The two methods predict very close optical rotation magnitudes for all three chiral analogs of concentricolide. The two methods were applied in optical rotation predictions for seven other concentricolide analogs. Circular dichroism calculations were performed for four of the seven analogs at the B3LYP/aug-cc-pVDZ level. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
关键词Configuration Determination Biological Activity Density Functional Calculations Chirality Circular Dichroism
学科领域Chemistry, Organic
DOI10.1002/ejoc.200900422
收录类别SCI ; IC
语种英语
WOS研究方向Chemistry
WOS类目Chemistry, Organic
WOS记录号WOS:000269103600022
引用统计
被引频次:27[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.kib.ac.cn/handle/151853/5076
专题植物化学与西部植物资源持续利用国家重点实验室
作者单位1.CAS, Wuhan Inst Virol, State Key Lab Virol, Wuhan 430071, Peoples R China
2.Chinese Acad Sci, Organ Synth & Nat Prod Lab, State Key Lab Phytochem & Plant Resources W China, Kunming Inst Bot, Kunming 650204, Peoples R China
3.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
4.Tibetan Plateau Inst Biol, Tibet 850001, Peoples R China
5.Mississippi State Univ, Dept Chem, Mississippi State, MS 39762 USA
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Ren, Jie,Jiang, Ju-Xing,Li, Liang-Bo,et al. Assignment of the Absolute Configuration of Concentricolide - Absolute Configuration Determination of Its Bioactive Analogs Using DFT Methods[J]. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY,2009(23):3987-3991.
APA Ren, Jie.,Jiang, Ju-Xing.,Li, Liang-Bo.,Liao, Tou-Geng.,Tian, Ren-Rong.,...&Zhu, Hua-Jie.(2009).Assignment of the Absolute Configuration of Concentricolide - Absolute Configuration Determination of Its Bioactive Analogs Using DFT Methods.EUROPEAN JOURNAL OF ORGANIC CHEMISTRY(23),3987-3991.
MLA Ren, Jie,et al."Assignment of the Absolute Configuration of Concentricolide - Absolute Configuration Determination of Its Bioactive Analogs Using DFT Methods".EUROPEAN JOURNAL OF ORGANIC CHEMISTRY .23(2009):3987-3991.
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