1β,2α,3α,24-tetrahydroxyolean-12-en-28-oic acid | 254098-66-3

• 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: 1β,2α,3α,24-tetrahydroxyolean-12-en-28-oic acid
• 英文别名: 1beta,2alpha,3alpha,24-Tetrahydroxyolean-12-en-28-oic acid；(4aS,6aS,6aS,6bR,8aR,9S,10S,11R,12S,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• CAS: 254098-66-3
• 化学式: C₃₀H₄₈O₆
• 分子量: 504.708
• InChiKey: YOGUTEYZFFDORB-DRSZPOQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  36
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  118
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1β,2α,3α,24-tetrahydroxyolean-12-en-28-oic acid 以 吡啶 、 甲醇 、 乙醚 为溶剂， 生成 (4aS,6aS,6bR,8aR,9S,10S,11R,12S,12aR,12bS,14bS)-10,11,12-Triacetoxy-9-acetoxymethyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester
  参考文献：
  名称：

  Triterpene phytoalexins from nectarine fruits

  摘要：

  Seven triterpenoid phytoalexins were isolated from peel of unripe fruits of nectarine (Prunus persica cv Fantasia) wounded and inoculated with Colletotrichum musae. Two were new triterpenoids, identified as 1 beta,2 alpha,3 alpha,24-tetrahydroxyurs-12-en-28-oic acid and 1 beta,2 alpha,3 alpha,24-tetrahydroxyolean-12-en-28-oic acid. 2 alpha,3 alpha,24-Trihydroxyolean-12-en-28-oic acid, 2 alpha,3 alpha,24-trihydroxyurs-12-en-28-oic acid, 2 alpha,3 beta,24-trihydroxyolean-12-en-28-oic acid, 2 alpha,3 alpha-dihydroxyolean-12-en-28-oic acid, and 2 alpha,3 alpha-dihydroxyurs-12-en-28-oic acid were previously reported as constitutive natural products from other plants, but were never described as phytoalexins. All showed antifungal activity against the fungus mentioned. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(99)00316-7

文献信息

• Triterpene phytoalexins from nectarine fruits
  作者：Hassane El Lahlou、Nobuhiro Hirai、Mitsuya Tsuda、Hajime Ohigashi

  DOI：10.1016/s0031-9422(99)00316-7

  日期：1999.10

  Seven triterpenoid phytoalexins were isolated from peel of unripe fruits of nectarine (Prunus persica cv Fantasia) wounded and inoculated with Colletotrichum musae. Two were new triterpenoids, identified as 1 beta,2 alpha,3 alpha,24-tetrahydroxyurs-12-en-28-oic acid and 1 beta,2 alpha,3 alpha,24-tetrahydroxyolean-12-en-28-oic acid. 2 alpha,3 alpha,24-Trihydroxyolean-12-en-28-oic acid, 2 alpha,3 alpha,24-trihydroxyurs-12-en-28-oic acid, 2 alpha,3 beta,24-trihydroxyolean-12-en-28-oic acid, 2 alpha,3 alpha-dihydroxyolean-12-en-28-oic acid, and 2 alpha,3 alpha-dihydroxyurs-12-en-28-oic acid were previously reported as constitutive natural products from other plants, but were never described as phytoalexins. All showed antifungal activity against the fungus mentioned. (C) 1999 Elsevier Science Ltd. All rights reserved.