(R)-2-((R)-1-acetoxy-17-{(1S,2R)-2-[(1S,20S,21S)-20-hydroxy-1,21-dimethylnonatriacontyl]cyclopropyl}heptadecyl)hexacosanoic acid methyl ester | 1446326-52-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (R)-2-((R)-1-acetoxy-17-{(1S,2R)-2-[(1S,20S,21S)-20-hydroxy-1,21-dimethylnonatriacontyl]cyclopropyl}heptadecyl)hexacosanoic acid methyl ester
• CAS: 1446326-52-8
• 化学式: C₉₀H₁₇₆O₅
• 分子量: 1338.38
• InChiKey: PVGNVZCZEPSPNJ-ZEGJAIHKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.88
• 重原子数：
  95.0
• 可旋转键数：
  81.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  72.83
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (R)-2-((R)-1-acetoxy-17-{(1S,2R)-2-[(1S,20S,21S)-20-hydroxy-1,21-dimethylnonatriacontyl]cyclopropyl}heptadecyl)hexacosanoic acid methyl ester 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以83%的产率得到C₉₀H₁₇₄O₅
  参考文献：
  名称：

  The synthesis of methoxy and keto mycolic acids containing methyl-trans-cyclopropanes

  摘要：

  The syntheses of a number of methoxy and keto-mycolic acids containing an alpha-methyl-trans-cyclopropane unit and with chain lengths identical to those reported in major homologues in natural samples are reported. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.134
• 作为产物：
  描述：

  (R)-2-((R)-1-acetoxy-17-{(1S,2R)-2-[(1S,20S,21S)-20-(tert-butyldimethylsilanyloxy)-1,21-dimethylnonatriacontyl]cyclopropyl}heptadecyl)hexacosanoic acid methyl ester 在 吡啶 、 pyridine hydrofluoride 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 以74%的产率得到(R)-2-((R)-1-acetoxy-17-{(1S,2R)-2-[(1S,20S,21S)-20-hydroxy-1,21-dimethylnonatriacontyl]cyclopropyl}heptadecyl)hexacosanoic acid methyl ester
  参考文献：
  名称：

  The synthesis of methoxy and keto mycolic acids containing methyl-trans-cyclopropanes

  摘要：

  The syntheses of a number of methoxy and keto-mycolic acids containing an alpha-methyl-trans-cyclopropane unit and with chain lengths identical to those reported in major homologues in natural samples are reported. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.134