2α,3α,24-trihydroxyurs-12-en-28-oic acid-28-O-β-D-glucopyranosylester | 1362057-94-0

• 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,24-trihydroxyurs-12-en-28-oic acid-28-O-β-D-glucopyranosylester
• 英文别名: 2α,3α,23-trihydroxy-urs-12-en-28-oic acid 28-O-β-D-glucopyranoside；[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-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-carboxylate
• CAS: 1362057-94-0
• 化学式: C₃₆H₅₈O₁₀
• 分子量: 650.851
• InChiKey: OEGYWKLSOORPGU-SZZHKNJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  46
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2α,3α,24-trihydroxyurs-12-en-28-oic acid-28-O-β-D-glucopyranosylester 在 吡啶 、 盐酸 、 水 作用下， 以 1,4-二氧六环 、 吡啶 、 水 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Cytotoxic terpenoids from Juglans sinensis leaves and twigs

  摘要：

  Bioassay-guided fractionation of an 80% MeOH extract of Juglan sinensis leaves and twigs has resulted in the isolation of three new triterpenes (1-3) and two new sesquiterpenes (4-5) along with two known sesquiterpenes (6-7). The new compounds were determined to be 3 beta, 11 alpha, 19 alpha, 24, 30-pentahydroxy-20 beta, 28-epoxy-28 beta-methoxy-ursane (1), 1 alpha, 3 beta-dihydroxy-olean-18-ene (2), 2 alpha, 3 alpha, 23-trihydroxy-urs-12-en-28-oic acid 28-O-beta-D-glucopyranoside (3), (4S, 5S, 7R, 8R, 14R)-8, 11-dihydroxy-2, 4-cyclo-eudesmane (4), 15-hydroxy-alpha-eudesmol-11-O-beta-D-glucopyranoside (5), by spectroscopic analysis. The cytotoxicity of compounds (1-7) against four cancer cell lines such as B16F10, Hep-2, MCF-7 and U87-MG was evaluated. Compounds 1, 2, 6 and 7 showed potent cytotoxicity against all of four cancer cell lines, respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.010