(3aR,6S,8aS)-6-Formyl-2,3,6,7,8,8a-hexahydro-1H-3a,6-methano-azulene-4,5-dicarboxylic acid bis-[(3aR,5R,6S,6aR)-5-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl] ester | 149099-28-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aR,6S,8aS)-6-Formyl-2,3,6,7,8,8a-hexahydro-1H-3a,6-methano-azulene-4,5-dicarboxylic acid bis-[(3aR,5R,6S,6aR)-5-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl] ester
• 英文别名: bis[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (1R,5S,8S)-8-formyltricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate
• CAS: 149099-28-5
• 化学式: C₃₈H₅₂O₁₅
• 分子量: 748.822
• InChiKey: DYKJJENXQKHABA-GEDURTKGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  53
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  162
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  10-Oxa-bicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylic acid bis-[(3aR,5R,6S,6aR)-5-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl] ester 以 乙醚 为溶剂， 生成 (3aR,6S,8aS)-6-Formyl-2,3,6,7,8,8a-hexahydro-1H-3a,6-methano-azulene-4,5-dicarboxylic acid bis-[(3aR,5R,6S,6aR)-5-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl] ester 、 (3aS,6R,8aR)-6-Formyl-2,3,6,7,8,8a-hexahydro-1H-3a,6-methano-azulene-4,5-dicarboxylic acid bis-[(3aR,5R,6S,6aR)-5-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl] ester
  参考文献：
  名称：

  Chirale induktion bei der photochemischen umlagerung von 3,6-hexanooxepin-4,5-dicarbonsäureestern

  摘要：

  DOI：

  10.1016/s0040-4039(01)93370-2