Nobotanin D | 145274-77-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: Nobotanin D
• 英文别名: methyl 3,4,5-trihydroxy-2-[[(10R,11S,13R,14R,15S)-3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-14-[3,4,5-trihydroxy-2-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,28,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-14-yl]oxy]benzoyl]oxy-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-20-yl]oxy]benzoate
• CAS: 145274-77-7
• 化学式: C₉₀H₆₂O₅₇
• 分子量: 2055.45
• InChiKey: JCMYUBOYYXHSQF-JIJLVTKQSA-N

物化性质

• 密度：
  2.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  147
• 可旋转键数：
  19
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  953
• 氢给体数：
  31
• 氢受体数：
  57

反应信息

• 作为产物：
  描述：

  Nobotanin J 在 acetate buffer 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以14 mg的产率得到Nobotanin D
  参考文献：
  名称：

  Dimeric hydrolysable tannins from melastoma Malabathricum

  摘要：

  Three new hydrolysable tannin dimers, malabathrins B, C and D, and 11 known tannins including three dimers (nobotanins B, G and H) and a trimer (nobotanin J), have been isolated from the leaves of Melastoma malabathricum. The structures of new dimers were determined by spectral analysis and chemical correlations with nobotanins B and J.

  DOI：

  10.1016/0031-9422(92)83641-b

文献信息

• Dimeric hydrolysable tannins from melastoma Malabathricum
  作者：Takashi Yoshida、Fumihisa Nakata、Kumi Hosotani、Aya Nitta、Takuo Okudat

  DOI：10.1016/0031-9422(92)83641-b

  日期：1992.8

  Three new hydrolysable tannin dimers, malabathrins B, C and D, and 11 known tannins including three dimers (nobotanins B, G and H) and a trimer (nobotanin J), have been isolated from the leaves of Melastoma malabathricum. The structures of new dimers were determined by spectral analysis and chemical correlations with nobotanins B and J.