ent-8R,13S;15,17-diepoxy-3β-D-glucopyranosyloxylabdan-14α-ol | 1227698-62-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: ent-8R,13S;15,17-diepoxy-3β-D-glucopyranosyloxylabdan-14α-ol
• 英文别名: microtropioside A；(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,6R,9R,10S,13R,14S)-14-hydroxy-5,5,9,13-tetramethyl-16,18-dioxatetracyclo[11.4.1.01,10.04,9]octadecan-6-yl]oxy]oxane-3,4,5-triol
• CAS: 1227698-62-5
• 化学式: C₂₆H₄₄O₉
• 分子量: 500.63
• InChiKey: DUJOSWHWGIHTCJ-NVIBDPSKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  138
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  ent-8R,13S;15,17-diepoxy-3β-D-glucopyranosyloxylabdan-14α-ol 在 盐酸 、 水 作用下， 反应 2.0h， 生成 可得然胶
  参考文献：
  名称：

  Microtropiosides A–F: ent-Labdane diterpenoid glucosides from the leaves of Microtropis japonica (Celastraceae)

  摘要：

  From a 1-BuOH-soluble fraction of a MeOH extract of the leaves of Microtropis japonica, collected in the Okinawa islands, six ent-labdane glucosides, named microtropiosides A-F, were isolated together with one known acyclic sesquiterpene glucoside. Their structures were elucidated by a combination of spectroscopic analyses, and their absolute configurations determined by application of the beta-D-glucopyranosylation-induced shift-trend rule in (13)C NMR spectroscopy and the modified Mosher's method. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2010.01.004