2α,3β,22β,23,30-pentahydroxyurs-12-en-28-oic acid | 1309128-20-8

• 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,3β,22β,23,30-pentahydroxyurs-12-en-28-oic acid
• CAS: 1309128-20-8
• 化学式: C₃₀H₄₈O₇
• 分子量: 520.707
• InChiKey: VIZDGSUNPOSVBA-YEBBCSGTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.98
• 重原子数：
  37.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  138.45
• 氢给体数：
  6.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  积雪草酸 在 Alternaria longipes AS 3.2875 作用下， 以 甲醇 为溶剂， 反应 96.0h， 以10 mg的产率得到2α,3β,23,30-tetrahydroxyurs-12-en-28-oic acid
  参考文献：
  名称：

  Microbial transformation of asiatic acid byAlternaria longipes

  摘要：

  Asiatic acid is a major pentacyclic triterpene isolated from Centella asiatica. It shows a variety of bioactivities. In order to obtain its derivatives, potentially useful for detailed pharmacological studies, the substrate was subjected to incubations with selected micro-organisms. In this work, asiatic acid was converted into three new compounds: 2,3,23,30-tetrahydroxyurs-12-ene-28-oic acid (1), 2,3,22,23-tetrahydroxyurs-12-ene-28-oic acid (2), and 2,3,22,23,30-pentahydroxyurs-12-ene-28-oic acid (3) by the fungus Alternaria longipes AS 3.2875. The structures of the three metabolites were determined by 1D and 2D NMR spectral data.

  DOI：

  10.1080/10286020.2010.501505