Assignment of the Absolute Configuration of Zwitterionic and Neutral Macropodumines by Means of TDDFT CD Calculations
文献类型：期刊论文
| 作者 | Guo, Yue-Wei1 ; Kurtan, Tibor2; Krohn, Karsten3; Pescitelli, Gennaro5; Zhang, Wen4
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| 刊名 | CHIRALITY
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| 出版日期 | 2009-06 |
| 卷号 | 21期号:6页码:561-568 |
| 关键词 | Daphniphyllum alkaloids cyclopentadienyl carbanion X-ray diffraction analysis solid-state CD/TDDFT approach solution vs. solid-state CD |
| ISSN号 | 0899-0042 |
| DOI | 10.1002/chir.20626 |
| 文献子类 | Article |
| 英文摘要 | Macropodumines B and C (1, 2) are fused pentacyclic alkaloids previously isolated from the Chinese medicinal plant Daphniphyllum macropodum. Macropodumine B (1) possesses an amazing structural feature of a cyclopentadienyl carbanion, stabilized as a zwitterion by an internal iminium cation, which was confirmed by X-ray diffraction analysis. On the basis of the X-ray geometry, the absolute configuration of I was determined by employing the solid-state CD/TDDFT approach. The absolute configuration of 2 was instead determined by using TDDFT CD calculations on DFT-optimized geometries, in comparison with CD spectra recorded in solution. Chirality 21:561-568, 2009. (C) 2008 Wiley-Liss, Inc. |
| WOS关键词 | DENSITY-FUNCTIONAL THEORY ; ELECTRONIC CIRCULAR-DICHROISM ; STATE CD/TDDFT APPROACH ; EXCOECARIA-AGALLOCHA L ; DAPHNIPHYLLUM-MACROPODUM ; OPTICAL-ROTATION ; CHIROPTICAL PROPERTIES ; PENTACYCLIC ALKALOIDS ; NATURAL-PRODUCTS ; AMINO-ACIDS |
| 资助项目 | National Marine "863"[2006AA09Z412] ; National Marine "863"[2007AA09Z447] ; Natural Science Foundation of China[20721003] ; Natural Science Foundation of China[30730108] ; Natural Science Foundation of China[20572116] ; STCSM[07XD14036] ; STCSM[054307062] ; STCSM[06DZ22028] ; Hungarian Scientific Research Fund (OTKA)[00000000] ; National Office for Research and Technology (NKTH)[K-68429] ; Ministero dell'Universita e della Ricerca[FIRB RBPR05NWWC] |
| WOS研究方向 | Pharmacology & Pharmacy ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000267250300001 |
| 出版者 | WILEY |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/279225]  |
| 专题 | 天然药物化学研究室 中科院受体结构与功能重点实验室 新药研究国家重点实验室 |
| 通讯作者 | Pescitelli, Gennaro |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 200031, Peoples R China; 2.Univ Debrecen, Dept Organ Chem, H-4012 Debrecen, Hungary; 3.Univ Gesamthsch Paderborn, Dept Chem, Paderborn, Germany; 4.Second Mil Med Univ, Sch Pharm, Res Ctr Marine Drugs, Shanghai, Peoples R China 5.Univ Pisa, Dipartimento Chim & Chim Ind, I-56126 Pisa, Italy; |
| 推荐引用方式 GB/T 7714 | Guo, Yue-Wei,Kurtan, Tibor,Krohn, Karsten,et al. Assignment of the Absolute Configuration of Zwitterionic and Neutral Macropodumines by Means of TDDFT CD Calculations[J]. CHIRALITY,2009,21(6):561-568. |
| APA | Guo, Yue-Wei,Kurtan, Tibor,Krohn, Karsten,Pescitelli, Gennaro,&Zhang, Wen.(2009).Assignment of the Absolute Configuration of Zwitterionic and Neutral Macropodumines by Means of TDDFT CD Calculations.CHIRALITY,21(6),561-568. |
| MLA | Guo, Yue-Wei,et al."Assignment of the Absolute Configuration of Zwitterionic and Neutral Macropodumines by Means of TDDFT CD Calculations".CHIRALITY 21.6(2009):561-568. |
入库方式： OAI收割
来源：上海药物研究所
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