(1R,4R,6R,11R)-4-Allyl-11-(1-hydroxy-1-methyl-ethyl)-7,9,10-trioxa-tricyclo[4.3.3.0^1,6]dodecan-3-one | 162585-15-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,4R,6R,11R)-4-Allyl-11-(1-hydroxy-1-methyl-ethyl)-7,9,10-trioxa-tricyclo[4.3.3.0^1,6]dodecan-3-one
• 英文别名: (1R,4R,6R,11R)-11-(2-hydroxypropan-2-yl)-4-prop-2-enyl-7,9,10-trioxatricyclo[4.3.3.01,6]dodecan-3-one
• CAS: 162585-15-1
• 化学式: C₁₅H₂₂O₅
• 分子量: 282.337
• InChiKey: ZZVUNOMKXJIMLD-LTZCYQRMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1R,4R,6R,11R)-4-Allyl-11-(1-hydroxy-1-methyl-ethyl)-7,9,10-trioxa-tricyclo[4.3.3.0^1,6]dodecan-3-one 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以4.4 mg的产率得到(1R,4R,6R,11R)-11-(1-Hydroxy-1-methyl-ethyl)-4-propyl-7,9,10-trioxa-tricyclo[4.3.3.0^1,6]dodecan-3-one
  参考文献：
  名称：

  Prenylated C6C3 compounds related to illicinone E fromIllicium tashiroi

  摘要：

  Structures of four new cyclic prenylated C-6-C-3 compounds, isolated from the wood of Illicium tashiroi, have been assigned as (2R)-2,3-dihydroillicinone E, (2S)-2,3-dihydroillicinone E, (2S)-12-O-methyl-2,3-dihydroillicinone E and (1R, 2R)-illicinol E on the basis of spectroscopic data and chemical transformations. These compounds are closely related to illicinone E, a main component characteristic of I. tashiroi.

  DOI：

  10.1016/s0031-9422(00)89586-2
• 作为产物：
  描述：

  (1R,2R)-illicinol E 在 sodium acetate 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 0.42h， 以4 mg的产率得到(1R,4R,6R,11R)-4-Allyl-11-(1-hydroxy-1-methyl-ethyl)-7,9,10-trioxa-tricyclo[4.3.3.0^1,6]dodecan-3-one
  参考文献：
  名称：

  Prenylated C6C3 compounds related to illicinone E fromIllicium tashiroi

  摘要：

  Structures of four new cyclic prenylated C-6-C-3 compounds, isolated from the wood of Illicium tashiroi, have been assigned as (2R)-2,3-dihydroillicinone E, (2S)-2,3-dihydroillicinone E, (2S)-12-O-methyl-2,3-dihydroillicinone E and (1R, 2R)-illicinol E on the basis of spectroscopic data and chemical transformations. These compounds are closely related to illicinone E, a main component characteristic of I. tashiroi.

  DOI：

  10.1016/s0031-9422(00)89586-2