4-Acetyl-3,3-dimethyl-endo-7-phenyl-2,6-dioxa-4-azabicyclo<3.2.0>heptan-7-carbonsaeure-<(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl>ester | 113648-95-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-Acetyl-3,3-dimethyl-endo-7-phenyl-2,6-dioxa-4-azabicyclo<3.2.0>heptan-7-carbonsaeure-<(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl>ester
• CAS: 113648-95-6
• 化学式: C₃₁H₃₉NO₅
• 分子量: 505.654
• InChiKey: ODHSWGPNNYOYLA-UBWBRFLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.45
• 重原子数：
  37.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  65.07
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1-(2,2-二甲基-1,3-恶唑-3-基)乙酮 、 Phenylglyoxylsaeure-((1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)-1-cyclohexyl)ester 以 苯 为溶剂， 生成 2-Acetyl-3,3-dimethyl-endo-7-phenyl-4,6-dioxa-2-azabicyclo<3.2.0>heptan-7-carbonsaeure-<(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl>ester 、 2-Acetyl-3,3-dimethyl-endo-7-phenyl-4,6-dioxa-2-azabicyclo<3.2.0>heptan-7-carbonsaeure-<(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl>ester 、 4-Acetyl-3,3-dimethyl-endo-7-phenyl-2,6-dioxa-4-azabicyclo<3.2.0>heptan-7-carbonsaeure-<(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl>ester 、 4-Acetyl-3,3-dimethyl-endo-7-phenyl-2,6-dioxa-4-azabicyclo<3.2.0>heptan-7-carbonsaeure-<(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl>ester
  参考文献：
  名称：

  Weuthen, Manfred; Scharf, Hans-Dieter; Runsink, Jan, Chemische Berichte, 1988, vol. 121, p. 971 - 976

  摘要：

  DOI：