(1S,2R,3R,6R,7S,8S,9R,10R,12R,14R,15R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,13,15-trihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-1,3,6,8,10,12,14-heptamethyl-4,16-dioxabicyclo[11.2.1]hexadecan-5-one | 121573-68-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,2R,3R,6R,7S,8S,9R,10R,12R,14R,15R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,13,15-trihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-1,3,6,8,10,12,14-heptamethyl-4,16-dioxabicyclo[11.2.1]hexadecan-5-one
• CAS: 121573-68-0
• 化学式: C₃₈H₆₉NO₁₄
• 分子量: 763.964
• InChiKey: JNUQUYQCRMSHBY-BYCFPBBASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 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 、 (1S,2R,3R,6R,7S,8S,9R,10R,12R,14R,15R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,13,15-trihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-1,3,6,8,10,12,14-heptamethyl-4,16-dioxabicyclo[11.2.1]hexadecan-5-one 以 吡啶 为溶剂， 反应 120.0h， 以0.084 g的产率得到[(2S,3R,4S,6R)-2-[[(1S,2R,3R,6R,7S,8S,9R,10R,12R,14R,15R)-2,15-diacetyloxy-7-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-13-hydroxy-10-methoxy-1,3,6,8,10,12,14-heptamethyl-5-oxo-4,16-dioxabicyclo[11.2.1]hexadecan-9-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：

  (14R)-14-hydroxy-6-O-methylerythromycine A 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 48.0h， 生成 (1S,2R,3R,6R,7S,8S,9R,10R,12R,14R,15R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2,13,15-trihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-1,3,6,8,10,12,14-heptamethyl-4,16-dioxabicyclo[11.2.1]hexadecan-5-one 、 (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12,13,14-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13,15-heptamethyl-oxacyclopentadecane-2,10-dione
  参考文献：
  名称：

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

  摘要：

  DOI：

  10.1021/jo00275a051

文献信息

• 15-Membered macrolides via translactonization in 14-hydroxy-6-O-methylerythromycin A
  作者：Takashi Adachi

  DOI：10.1021/jo00275a051

  日期：1989.7