dimethyl (2R,3R,4R,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-2,3-diacetyloxy-4-(acetyloxymethyl)-12-hydroxy-6a,6b,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate | 109792-84-9

• 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: dimethyl (2R,3R,4R,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-2,3-diacetyloxy-4-(acetyloxymethyl)-12-hydroxy-6a,6b,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
• CAS: 109792-84-9
• 化学式: C₃₈H₅₆O₁₁
• 分子量: 688.856
• InChiKey: WMGMGCCJRQLFNZ-YLXJTRJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  49
• 可旋转键数：
  11
• 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

• 作为反应物：
  描述：

  dimethyl (2R,3R,4R,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-2,3-diacetyloxy-4-(acetyloxymethyl)-12-hydroxy-6a,6b,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 生成 dimethyl (2R,3R,4R,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-2,3-diacetyloxy-4-(acetyloxymethyl)-6a,6b,11,11,14b-pentamethyl-12-oxo-2,3,4a,5,6,7,8,9,10,12a,14,14a-dodecahydro-1H-picene-4,8a-dicarboxylate
  参考文献：
  名称：

  Abe, Fumiko; Yamauchi, Tatsuo, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 5, p. 1833 - 1838

  摘要：

  DOI：
• 作为产物：
  描述：

  (2R,3R,4R,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-2,3,12-Trihydroxy-4-hydroxymethyl-6a,6b,11,11,14b-pentamethyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydro-1H-picene-4,8a-dicarboxylic acid 4-methyl ester 以 吡啶 为溶剂， 生成 dimethyl (2R,3R,4R,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-2,3-diacetyloxy-4-(acetyloxymethyl)-12-hydroxy-6a,6b,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
  参考文献：
  名称：

  Abe, Fumiko; Yamauchi, Tatsuo, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 5, p. 1833 - 1838

  摘要：

  DOI：