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Acta Chimica Sinica ›› 2008, Vol. 66 ›› Issue (11): 1327-1332. Previous Articles     Next Articles

水峰调制下的3,4-Seco-olean-11,13-dien-4,15α,22β,24-tetraol-3-oic Acid的NMR结构解析

欧阳捷1，乔堃1，张巍1，邓志威*,1，李莉娅2，林文翰2   

  1. (1北京师范大学分析测试中心 北京 100875)
    (2北京大学天然药物与仿生药物国家重点实验室 北京 100083)
  • 投稿日期:2007-09-19 修回日期:2007-12-10 发布日期:2008-06-14
  • 通讯作者: 邓志威

NMR Structural Elucidation of 3,4-Seco-olean-11,13-dien- 4,15α,22β,24-tetraol-3-oic Acid with Modulation of Water Peak

OUYANG, Jie1; QIAO, Kun1; ZHANG, Wei1; DENG, Zhi-Wei*,1; LI, Li-Ya2; LIN, Wen-Han2   

  1. (1 Analytical & Testing Center, Beijing Normal University, Beijing 100875)
    (2 State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100083)
  • Received:2007-09-19 Revised:2007-12-10 Published:2008-06-14
  • Contact: DENG, Zhi-Wei

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The structure of a new compound, isolated from the endophyte of the semi-mangrove plant Hibiscus tilianceus, was elucidated with nuclear magnetic resonance spectroscopy. In the primary 1H NMR test, it was found that some signal lines were submerged under the “water peak”, and this would interfere with the analysis of NMR spectra. In this work, the variational rule between the water-peak chemical shift and the water content was investigated for solvent DMSO-d6. Using the results, the water-peak chemical shift was modulated with certain amount of extra water introduced into the practical sample tests. As a result, the interference of water peak was overcome, and a group of suitable spectra including 1H NMR, 13C NMR, COSY, HMQC, HMBC, etc., were obtained. The structural elucidation of the new compound was achieved, and it was confirmed that this compound belonged to a triterpenoid of oleanane, and identified as 3,4-seco-olean-11,13-dien-4,15α,22β,24-tetraol-3-oic acid.

Key words: nuclear magnetic resonance (NMR), modulation of water peak, structural elucidation, triterpenoid of oleanane