Acetic acid (11E,13E)-6-((2S,3R,4R,5S,6R)-4-dimethylamino-3,5-dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-7-[1,3]dioxolan-2-ylmethyl-5-methoxy-9,16-dimethyl-2,10-dioxo-oxacyclohexadeca-11,13-dien-4-yl ester | 64515-29-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Acetic acid (11E,13E)-6-((2S,3R,4R,5S,6R)-4-dimethylamino-3,5-dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-7-[1,3]dioxolan-2-ylmethyl-5-methoxy-9,16-dimethyl-2,10-dioxo-oxacyclohexadeca-11,13-dien-4-yl ester
• 英文别名: [(11E,13E)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-(1,3-dioxolan-2-ylmethyl)-5-methoxy-9,16-dimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
• CAS: 64515-29-3
• 化学式: C₃₂H₅₁NO₁₂
• 分子量: 641.756
• InChiKey: YUWNIHBFBHCRQH-INNNVQKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  160
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  Acetic acid (11E,13E)-6-((2S,3R,4R,5S,6R)-4-dimethylamino-3,5-dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-7-[1,3]dioxolan-2-ylmethyl-5-methoxy-9,16-dimethyl-2,10-dioxo-oxacyclohexadeca-11,13-dien-4-yl ester 生成 (2S,3R,4S,5S,6R)-2-[[(11E,13E)-4-acetyloxy-7-(1,3-dioxolan-2-ylmethyl)-5-methoxy-9,16-dimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-3,5-dihydroxy-N,N,6-trimethyloxan-4-amine oxide
  参考文献：
  名称：

  UMEZAWA, SUMIO;UMEZAWA, HAMAO;TATSUTA, KUNIAKI

  摘要：

  DOI：
• 作为产物：
  描述：

  [(2S,3S,4S,6R)-6-[(2R,3S,4R,5R,6S)-6-[[(11E,13E)-4-acetyloxy-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate 、 乙二醇 生成 Acetic acid (11E,13E)-6-((2S,3R,4R,5S,6R)-4-dimethylamino-3,5-dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-7-[1,3]dioxolan-2-ylmethyl-5-methoxy-9,16-dimethyl-2,10-dioxo-oxacyclohexadeca-11,13-dien-4-yl ester
  参考文献：
  名称：

  UMEZAWA, SUMIO;UMEZAWA, HAMAO;TATSUTA, KUNIAKI

  摘要：

  DOI：