Structure assignment of 8 alpha-OH phlegmariurine B - A combined NMR and density functional theory investigation
文献类型：期刊论文
| 作者 | Tan, XJ; Wang, HQ; Jiang, HL ; Zhu, WL; Jiang, SH; Zhu, DY; Chen, KX; Ji, RY
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| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 2000 |
| 卷号 | 58期号:11页码:1386-1392 |
| 关键词 | 8(alpha)-OH phlegmariurine B density functional theory NMR GIAO method |
| ISSN号 | 0567-7351 |
| 文献子类 | Article |
| 英文摘要 | A combined NMR and density functional theory (B3LYP) investigation was carried out on a new alkaloid obtained from Huperzia serrata Thunb(Trev.). The theoretical NMR data of 8 alpha - OH phlegmariurine B are in excellent agreement with the experimental results. The configuration was then established through analysis of the vicinal coupling constants and 2D NMR(NOESY and COSY) spectra. This work shows that the quantum chemistry study of NMR can serve as a promising tool in aiding structural assignment of natural products. |
| WOS关键词 | HUPERZINE-A ; COUPLING-CONSTANTS ; CHEMICAL-SHIFT ; CARBON |
| WOS研究方向 | Chemistry |
| 语种 | 中文 |
| CSCD记录号 | CSCD:506674 |
| WOS记录号 | WOS:000165592800016 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/274651]  |
| 专题 | 中国科学院上海药物研究所 |
| 通讯作者 | Tan, XJ |
| 作者单位 | Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai 200031, Peoples R China |
| 推荐引用方式 GB/T 7714 | Tan, XJ,Wang, HQ,Jiang, HL,et al. Structure assignment of 8 alpha-OH phlegmariurine B - A combined NMR and density functional theory investigation[J]. ACTA CHIMICA SINICA,2000,58(11):1386-1392. |
| APA | Tan, XJ.,Wang, HQ.,Jiang, HL.,Zhu, WL.,Jiang, SH.,...&Ji, RY.(2000).Structure assignment of 8 alpha-OH phlegmariurine B - A combined NMR and density functional theory investigation.ACTA CHIMICA SINICA,58(11),1386-1392. |
| MLA | Tan, XJ,et al."Structure assignment of 8 alpha-OH phlegmariurine B - A combined NMR and density functional theory investigation".ACTA CHIMICA SINICA 58.11(2000):1386-1392. |
入库方式： OAI收割
来源：上海药物研究所
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