2α,3α,19α-Trihydroxy-12-oleanen-28-oic acid | 308101-62-4

• 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,19α-Trihydroxy-12-oleanen-28-oic acid
• 英文别名: 2α,3α,19α-trihydroxy-olean-12-en-28-oic acid；(1S,4aR,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• CAS: 308101-62-4
• 化学式: C₃₀H₄₈O₅
• 分子量: 488.708
• InChiKey: XJMYUPJDAFKICJ-PRGATJKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  35
• 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：
  98
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2α-acetoxy-3α,19α-dihydroxy-olean-12-en-28-oic acid 28-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside 在 盐酸 作用下， 反应 3.0h， 生成 2α,3α,19α-Trihydroxy-12-oleanen-28-oic acid
  参考文献：
  名称：

  Triterpene saponins and iridoid glucosides from Galium rivale

  摘要：

  Three new glycosides of the oleanene-type triterpenes, rivalosides C-E (1-3), along with three known triterpene saponins, momordin IIb (4) and rivalosides A-B (5-6), and five known iridoid glucosides: monotropein, scandoside, deacetylasperulosidic acid, geniposidic acid and asperulosidic acid, were isolated from aerial parts of Galium rivale. The structures of the new compounds were elucidated by spectral methods and chemical means as 2 alpha-acetoxy-3 alpha,19 alpha-dihydroxy-olean-12-en-28-oic acid 28-O-beta-D-glucopyranosyl-(1 --> 6)-beta-D-glucopyranoside, 2 alpha,3 alpha,19 alpha-trihydroxy-olean-12-en-28-oic acid 28-O-beta-D-glucopyranosyl-(1 --> 6)-beta-D-glucopyranoside and 3-O-beta-D-glucuronopyranosyl-24-hydroxy-olean-12-en-28-oic acid 28-O-beta-D-glucopyranoside, for rivalosides C-E, respectively. The taxonomic significance of the rivalosides in G. rivale was discussed. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(00)00149-7

文献信息

• Two New Triterpene Saponins from the Tubers of Stachys sieboldii
  作者：Kang Ro Lee、Hyeon Kyung Cho、Chung Sub Kim、Won Se Suh、Ki Hyun Kim

  DOI：10.3987/com-14-13103

  日期：——