2α,3α-Dihydroxyurs-12-en-24-al-28-oic acid | 143773-50-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2α,3α-Dihydroxyurs-12-en-24-al-28-oic acid
• 英文别名: (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-9-formyl-10,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
• CAS: 143773-50-6
• 化学式: C₃₀H₄₆O₅
• 分子量: 486.692
• InChiKey: XKDDRNDPNACDAM-UMCOSQRYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 2α,3α-Dihydroxyurs-12-en-24-al-28-oic acid 生成 Dimethyl 2α,3α,24-Trihydroxyurs-12-ene-23,28-dioate
  参考文献：
  名称：

  Triterpenoids from the fruit galls of Actinidia polygama

  摘要：

  Five new triterpenoids, along with seven known ones, were isolated from the fruit galls of Actinidia polygama. The new compounds were determined to be 2-alpha,3-alpha,23,24-tetrahydroxyurs-12-en-28-oic acid, 2-alpha,3-alpha-dihydroxyurs-12-en-24-al-28-oic acid, 2-alpha,3-alpha,24-trihydroxyurs-12-ene-23,28-dioic acid, 2-alpha,3-alpha,23-trihydroxyursa-12,20(30)-dien-28-oic acid and 3-beta-(trans-p-coumaroyloxy)-2-alpha,23-dihydroxy-urs-12-en-28-oic acid on the basis of chemical and spectral evidence.

  DOI：

  10.1016/0031-9422(92)83634-b