(S)-2-Methyl-butyric acid (1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4,4a-bis-acetoxymethyl-4-hydroxy-8-[(S)-2-hydroxy-2-(5-oxo-2,5-dihydro-furan-3-yl)-ethyl]-7,8-dimethyl-decahydro-naphthalen-1-yl ester | 121449-69-2

• 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: (S)-2-Methyl-butyric acid (1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4,4a-bis-acetoxymethyl-4-hydroxy-8-[(S)-2-hydroxy-2-(5-oxo-2,5-dihydro-furan-3-yl)-ethyl]-7,8-dimethyl-decahydro-naphthalen-1-yl ester
• 英文别名: [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4,4a-bis(acetyloxymethyl)-4-hydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate
• CAS: 121449-69-2
• 化学式: C₃₁H₄₆O₁₂
• 分子量: 610.699
• InChiKey: OMSUSWZLOQYBFF-XGKYDVEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  43
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  172
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 (S)-2-Methyl-butyric acid (1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4,4a-bis-acetoxymethyl-4-hydroxy-8-[(S)-2-hydroxy-2-(5-oxo-2,5-dihydro-furan-3-yl)-ethyl]-7,8-dimethyl-decahydro-naphthalen-1-yl ester 在 吡啶 作用下， 反应 12.0h， 生成 (S)-2-Methyl-butyric acid (1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4,4a-bis-acetoxymethyl-8-[(S)-2-acetoxy-2-(5-oxo-2,5-dihydro-furan-3-yl)-ethyl]-4-hydroxy-7,8-dimethyl-decahydro-naphthalen-1-yl ester
  参考文献：
  名称：

  Shimomura, Hiroko; Sashida, Yutaka; Ogawa, Kazunori, Chemical and pharmaceutical bulletin, 1989, vol. 37, # 2, p. 354 - 357

  摘要：

  DOI：
• 作为产物：
  描述：

  [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-4-(chloromethyl)-4-hydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate 在 碳酸氢钠 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 生成 (S)-2-Methyl-butyric acid (1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4,4a-bis-acetoxymethyl-4-hydroxy-8-[(S)-2-hydroxy-2-(5-oxo-2,5-dihydro-furan-3-yl)-ethyl]-7,8-dimethyl-decahydro-naphthalen-1-yl ester
  参考文献：
  名称：

  Shimomura, Hiroko; Sashida, Yutaka; Ogawa, Kazunori, Chemical and pharmaceutical bulletin, 1989, vol. 37, # 2, p. 354 - 357

  摘要：

  DOI：

文献信息

• Shimomura, Hiroko; Sashida, Yutaka; Ogawa, Kazunori, Chemical and pharmaceutical bulletin, 1989, vol. 37, # 2, p. 354 - 357
  作者：Shimomura, Hiroko、Sashida, Yutaka、Ogawa, Kazunori

  DOI：——

  日期：——