(1R,2S,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12,14,15-trihydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13,15-heptamethyl-3,16-dioxabicyclo[10.3.1]hexadecan-4-one | 121573-64-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,2S,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12,14,15-trihydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13,15-heptamethyl-3,16-dioxabicyclo[10.3.1]hexadecan-4-one
• CAS: 121573-64-6
• 化学式: C₃₈H₆₉NO₁₄
• 分子量: 763.964
• InChiKey: FUJUFEVGGUOUPA-MJJBUCDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  53
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  195
• 氢给体数：
  5
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 (1R,2S,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12,14,15-trihydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13,15-heptamethyl-3,16-dioxabicyclo[10.3.1]hexadecan-4-one 以 吡啶 为溶剂， 反应 120.0h， 以0.075 g的产率得到[(2S,3R,4S,6R)-2-[[(1R,2S,5R,6S,7S,8R,9R,11R,13R,14R,15S)-14-acetyloxy-6-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-12,15-dihydroxy-9-methoxy-2,5,7,9,11,13,15-heptamethyl-4-oxo-3,16-dioxabicyclo[10.3.1]hexadecan-8-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate
  参考文献：
  名称：

  15-Membered macrolides via translactonization in 14-hydroxy-6-O-methylerythromycin A

  摘要：

  DOI：

  10.1021/jo00275a051
• 作为产物：
  描述：

  (14S)-14-hydroxy-6-O-methylerythromycine A 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 (1R,2S,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12,14,15-trihydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-2,5,7,9,11,13,15-heptamethyl-3,16-dioxabicyclo[10.3.1]hexadecan-4-one
  参考文献：
  名称：

  15-Membered macrolides via translactonization in 14-hydroxy-6-O-methylerythromycin A

  摘要：

  DOI：

  10.1021/jo00275a051