(1R,4S,5R,8S,9R,10S,12S)-15,16-epoxy-4-O-(β-D-glucopyranosyl)-cleroda-2,13(16),14-triene-17(12),18(1)-diolide | 1221178-19-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (1R,4S,5R,8S,9R,10S,12S)-15,16-epoxy-4-O-(β-D-glucopyranosyl)-cleroda-2,13(16),14-triene-17(12),18(1)-diolide
• 英文别名: (1R,2S,3R,5S,8S,11R,12R)-5-(furan-3-yl)-3,11-dimethyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
• CAS: 1221178-19-3
• 化学式: C₂₆H₃₂O₁₁
• 分子量: 520.533
• InChiKey: ZHUNNEPKAYTEID-DRORXSIDSA-N

物化性质

• 沸点：
  776.3±60.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  165
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  (1R,4S,5R,8S,9R,10S,12S)-15,16-epoxy-4-O-(β-D-glucopyranosyl)-cleroda-2,13(16),14-triene-17(12),18(1)-diolide 在 盐酸 、 水 作用下， 生成 可得然胶
  参考文献：
  名称：

  cis-Clerodane-Type Furanoditerpenoids from Tinospora crispa

  摘要：

  Phytochemical and cytotoxicity investigations on organic solvent extracts of the aerial parts of Tinospora crispa have led to the isolation of 15 cis-clerodane-type furanoditerpenoids. Of these, nine compounds (1-9) were found to be new. Spectroscopic assignments of a previously reported compound, borapetoside A (13), were revised on the basis of HMQC and HMBC correlations. No discernible activity was observed when compounds 10-13 were subjected to evaluation in cytotoxicity assays against human prostate cancer (PC-3) and the normal mouse fibroblast (3T3) cell lines.

  DOI：

  10.1021/np900551u