bellericagenin B methyl ester tetraacetate | 141630-21-9

• 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: bellericagenin B methyl ester tetraacetate
• 英文别名: methyl (1S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-diacetyloxy-9,9-bis(acetyloxymethyl)-1-hydroxy-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• CAS: 141630-21-9
• 化学式: C₃₉H₅₈O₁₁
• 分子量: 702.883
• InChiKey: KXUFRQUHEQBISI-XKYOHGKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  50
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  152
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  bellericagenin B 在 吡啶 作用下， 以 甲醇 、 乙醚 为溶剂， 生成 bellericagenin B methyl ester tetraacetate
  参考文献：
  名称：

  Pentacyclic triterpenoid sapogenols and their glycosides from

  摘要：

  Two new pentacyclic triterpene acids, bellericagenin A and bellericagenin B and their glycosides, bellericaside A and bellericaside B were isolated from the stem-bark of Terminalia bellerica and were respectively defined as 2-proportional-to, 3-beta, 7-proportional-to, 23-tetrahydroxyolean-12-en-28-oic acid, 2-proportional-to, 3-beta, 19-proportional-to, 23,24-pentahydroxyolean-12-en-28-oic acid, beta-D-glucopyranosyl 2-proportional-to, 3-beta, 7-proportional-to, 23-tetrahydroxyolean-12-en-28-oate and beta-D-galactopyranosyl 2-proportional-to, 3-beta, 19-proportional-to, 23, 24-pentahydroxyolean-12-en-28-oate based on their spectroscopic properties and some chemical transformations.

  DOI：

  10.1016/s0040-4020(01)88767-6