ursolic acid | 26532-58-1

• 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: ursolic acid
• 英文别名: (1S,2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
• CAS: 26532-58-1
• 化学式: C₃₀H₄₈O₃
• 分子量: 456.709
• InChiKey: WCGUUGGRBIKTOS-RRHGHHQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ursolic acid 、 乙酸酐 、 吡啶 生成 (1S,2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
  参考文献：
  名称：

  NAIM, ZAFAR;KHAN, MOHAMMAD ATAULLAH;NIZAMI, SHEIKH SIRAJUDDIN, PAKISTAN J. SCI. AND IND. RES., 31,(1988) N1, C. 753-755

  摘要：

  DOI：
• 作为产物：
  描述：

  在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 生成 ursolic acid
  参考文献：
  名称：

  Triterpenoid saponins from Ilex mamillata C.Y. Wu ex C.J. Tseng

  摘要：

  Two new triterpenoid saponins, ilemaminosides A and B (1 and 2) along with six known saponins (3-8) were isolated from 70% ethanolic extract of the leaves of Ilex mamillata C.Y. Wu ex C.J. Tseng. The new saponins were characterised as 3-O-alpha-L-arabinopyranosyl-ilexgenin B (1) and 3-O-beta-D-glucopyranosyl-(1 -> 3)-alpha-L-arabinopyranosyl-ilexgenin B (2). The structures of compounds 1 and 2 were elucidated on the basis of the chemical and spectroscopic methods, and the structures of known compounds were identified by comparison of their spectroscopic data with those reported in the literature. The compounds showed inhibitory activities in anti-inflammatory assay in vitro with IC50 values in the range 25.37-38.33 mu gmL(-1).

  DOI：

  10.1080/14786419.2011.636744

文献信息

• NAIM, ZAFAR;KHAN, MOHAMMAD ATAULLAH;NIZAMI, SHEIKH SIRAJUDDIN, PAKISTAN J. SCI. AND IND. RES., 31,(1988) N1, C. 753-755
  作者：NAIM, ZAFAR、KHAN, MOHAMMAD ATAULLAH、NIZAMI, SHEIKH SIRAJUDDIN

  DOI：——

  日期：——
• Triterpenoid saponins from <i>Ilex mamillata</i> C.Y. Wu ex C.J. Tseng
  作者：Che Yan-Yun、Zhang Liang、Li Ning、Zeng Ke-Wu、Tu Peng-Fei

  DOI：10.1080/14786419.2011.636744

  日期：2012.11

  Two new triterpenoid saponins, ilemaminosides A and B (1 and 2) along with six known saponins (3-8) were isolated from 70% ethanolic extract of the leaves of Ilex mamillata C.Y. Wu ex C.J. Tseng. The new saponins were characterised as 3-O-alpha-L-arabinopyranosyl-ilexgenin B (1) and 3-O-beta-D-glucopyranosyl-(1 -> 3)-alpha-L-arabinopyranosyl-ilexgenin B (2). The structures of compounds 1 and 2 were elucidated on the basis of the chemical and spectroscopic methods, and the structures of known compounds were identified by comparison of their spectroscopic data with those reported in the literature. The compounds showed inhibitory activities in anti-inflammatory assay in vitro with IC50 values in the range 25.37-38.33 mu gmL(-1).