(1R,3S,5R,7S,9R,11S,14S,16R,17R,18S,20R,21R,22Z,25S,27R,29S,31R,34S,35R,37S,39R,41S)-11-[(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enyl]-35-[(2R)-2-hydroxy-3-[(2S,4R,5R)-5-[(2S)-4-hydroxybutan-2-yl]-4-methyloxolan-2-yl]propyl]-9,18,21,27,29-pentamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-ene-17,34-diol | 1388154-39-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,3S,5R,7S,9R,11S,14S,16R,17R,18S,20R,21R,22Z,25S,27R,29S,31R,34S,35R,37S,39R,41S)-11-[(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enyl]-35-[(2R)-2-hydroxy-3-[(2S,4R,5R)-5-[(2S)-4-hydroxybutan-2-yl]-4-methyloxolan-2-yl]propyl]-9,18,21,27,29-pentamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-ene-17,34-diol
• CAS: 1388154-39-9
• 化学式: C₆₅H₁₀₈O₁₅Si
• 分子量: 1157.65
• InChiKey: PDFNHILHSDEHOX-MNBYZIONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.77
• 重原子数：
  81
• 可旋转键数：
  14
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  182
• 氢给体数：
  4
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  (1R,3S,5R,7S,9R,11S,14S,16R,17R,18S,20R,21R,22Z,25S,27R,29S,31R,34S,35R,37S,39R,41S)-11-[(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enyl]-35-[(2R)-2-hydroxy-3-[(2S,4R,5R)-5-[(2S)-4-hydroxybutan-2-yl]-4-methyloxolan-2-yl]propyl]-9,18,21,27,29-pentamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-ene-17,34-diol 在 2,2,6,6-四甲基哌啶氧化物 、 碘苯二乙酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Total Synthesis and Complete Stereostructure of Gambieric Acid A

  摘要：

  Total synthesis of gambieric acid A, a potent antifungal polycyclic ether metabolite, has been accomplished for the first time, which firmly established the complete stereostructure of this natural product.

  DOI：

  10.1021/ja305864z
• 作为产物：
  描述：

  在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.33h， 以80%的产率得到(1R,3S,5R,7S,9R,11S,14S,16R,17R,18S,20R,21R,22Z,25S,27R,29S,31R,34S,35R,37S,39R,41S)-11-[(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enyl]-35-[(2R)-2-hydroxy-3-[(2S,4R,5R)-5-[(2S)-4-hydroxybutan-2-yl]-4-methyloxolan-2-yl]propyl]-9,18,21,27,29-pentamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-ene-17,34-diol
  参考文献：
  名称：

  Total Synthesis and Complete Stereostructure of Gambieric Acid A

  摘要：

  Total synthesis of gambieric acid A, a potent antifungal polycyclic ether metabolite, has been accomplished for the first time, which firmly established the complete stereostructure of this natural product.

  DOI：

  10.1021/ja305864z