Absolute Configuration Determination for Natural Products (I)
Shen Lan1,2; Zhao Sheng-Ding1; Zhu Hua-Jie1
2011-11-10
发表期刊CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN0251-0790
卷号32期号:11页码:2568-2573
摘要Optical :rotation and (13)C NMR computations for five natural products, vidalenolone(1), 2-(3-di-hydroxy-3 -methylbutyl) benzene-1,4 -diol (2), 5, 6, 7, 7a (S)-tetrahydro-2-hydroxy-1-(p-hydroxyphenyl)-3H-pyrolizin -3-one (3), 3, 4-dihydro-4, 8-dihydroxy-6-methoxy-7-methyl-1 (2H)-naphthalenone (4) and 6-(R)-(4'-oxopentyl)-5,6-dihydro-2H-pyran-2-one(5), were performed at the B3LYP/6-aug-cc-pVDZI/B3LYP/6-31G(d) levels for assigning their absolute configurations. The computational results matched the experimental results well. One compound's 13C NMR chemical shifts were corrected based on the computational (13)C NMR results and earliest reports.
关键词Natural Product Density Functional Theory Optical Rotation (13)c Nmr Computation Absolute Configuration Determination
学科领域Chemistry
收录类别SCI
语种英语
WOS研究方向Chemistry
WOS类目Chemistry, Multidisciplinary
WOS记录号WOS:000297231500020
引用统计
被引频次:6[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/151853/5367
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.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources W China, Organ Synth & Nat Prod Lab, Kunming 650204, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
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Shen Lan,Zhao Sheng-Ding,Zhu Hua-Jie. Absolute Configuration Determination for Natural Products (I)[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2011,32(11):2568-2573.
APA Shen Lan,Zhao Sheng-Ding,&Zhu Hua-Jie.(2011).Absolute Configuration Determination for Natural Products (I).CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,32(11),2568-2573.
MLA Shen Lan,et al."Absolute Configuration Determination for Natural Products (I)".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 32.11(2011):2568-2573.
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