3-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]propanal | 218591-57-2

• 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: 3-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]propanal
• CAS: 218591-57-2
• 化学式: C₁₈H₃₂O₄
• 分子量: 312.45
• InChiKey: ITZLCHVAILWRPV-HRBLRVMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]propanal 在 咪唑 、 (-)-B-methoxydiisopinocampheylborane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 tert-Butyl-((S)-1-{2-[2-((2R,7S,10R)-7-isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undec-2-yl)-ethoxy]-ethyl}-but-3-enyloxy)-dimethyl-silane
  参考文献：
  名称：

  Synthesis and biological evaluation of fully synthetic bryostatin analogues

  摘要：

  The first members of a new class of designed bryostatin analogues are synthesized using a novel, convergent macrotransacetalization strategy. These simplified analogues, lacking the A-ring of bryostatin 1 and possessing a simplified B-ring, exhibit significant protein kinase C binding affinities and growth inhibitory activities against several human cancer cell lines. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01955-8
• 作为产物：
  描述：

  2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol 在 sodium hydroxide 、 9-borabicyclo[3.3.1]nonane dimer 、 双氧水 、 sodium hydride 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]propanal
  参考文献：
  名称：

  Synthesis and biological evaluation of fully synthetic bryostatin analogues

  摘要：

  The first members of a new class of designed bryostatin analogues are synthesized using a novel, convergent macrotransacetalization strategy. These simplified analogues, lacking the A-ring of bryostatin 1 and possessing a simplified B-ring, exhibit significant protein kinase C binding affinities and growth inhibitory activities against several human cancer cell lines. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01955-8