hirtellin B | 135404-48-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: hirtellin B
• 英文别名: [(10R,11S,12R,13S,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[(11R,12S,13R,31R,33S)-4,5,18,19,20,23,24,25,38,39-decahydroxy-9,15,28,35-tetraoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34-hexaoxaheptacyclo[34.3.1.03,8.011,33.013,31.016,21.022,27]tetraconta-1(40),3,5,7,16,18,20,22,24,26,36,38-dodecaen-6-yl]oxy]-3,4,5-trihydroxybenzoate
• CAS: 135404-48-7
• 化学式: C₈₂H₅₆O₅₂
• 分子量: 1873.32
• InChiKey: UOUAIWRZGXIRCC-QHNYOMBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  134
• 可旋转键数：
  14
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  866
• 氢给体数：
  28
• 氢受体数：
  52

反应信息

• 作为反应物：
  描述：

  hirtellin B 、 硫酸二甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以86 mg的产率得到
  参考文献：
  名称：

  Structures of isorugosin E and hirtellin B, dimeric hydrolyzable tannins having a trisgalloyl group

  摘要：

  Two new dimeric hydrolyzable tannins, isorugosin E and hirtellin B, have been respectively isolated from Liquidambar formosana (Hamamelidaceae) and Reaumuria hirtella (Tamaricaceae), and their structures 7 and 15, in which two monomers are linked through a trisgalloyl group (valoneoyl or hellinoyl group), have been elucidated based on high resolution NMR techniques. Hirtellin B exhibited a potent host-mediated antitumor activity.

  DOI：

  10.1016/s0040-4020(01)80871-1

文献信息

• Structures of isorugosin E and hirtellin B, dimeric hydrolyzable tannins having a trisgalloyl group
  作者：Takashi Yoshida、Tsutomu Hatano、Atallah F. Ahmed、Akira Okonogi、Takuo Okuda

  DOI：10.1016/s0040-4020(01)80871-1

  日期：——

  Two new dimeric hydrolyzable tannins, isorugosin E and hirtellin B, have been respectively isolated from Liquidambar formosana (Hamamelidaceae) and Reaumuria hirtella (Tamaricaceae), and their structures 7 and 15, in which two monomers are linked through a trisgalloyl group (valoneoyl or hellinoyl group), have been elucidated based on high resolution NMR techniques. Hirtellin B exhibited a potent host-mediated antitumor activity.