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题名: Absolute Configuration Determination for Natural Products (I)
作者: Shen Lan1, 2; Zhao Sheng-Ding1; Zhu Hua-Jie1
刊名: CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
关键词: Natural product ; Density functional theory ; Optical rotation ; (13)C NMR computation ; Absolute configuration determination
英文摘要: 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.
出版日期: 2011-11-10
卷号: 32, 期号:11, 页码:2568-2573
语种: 英语
收录类别: SCI
学科分类: Chemistry
ISSN号: 0251-0790
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.kib.ac.cn/handle/151853/5367
Appears in Collections:植物化学与西部植物资源持续利用国家重点实验室_期刊论文

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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

Recommended Citation:
Shen, L; Zhao, SD; Zhu, HJ.Absolute Configuration Determination for Natural Products (I),CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2011,32(11):2568-2573
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