(R)-2-{(R)-1-hydroxy-17-[(1S,2R)-2-((1S,20R,21R)-20-hydroxy-1,21-dimethylnonatriacontyl)cyclopropyl]heptadecyl}hexacosanoic acid | 1192146-80-7

• 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-hydroxy-17-[(1S,2R)-2-((1S,20R,21R)-20-hydroxy-1,21-dimethylnonatriacontyl)cyclopropyl]heptadecyl}hexacosanoic acid
• 英文别名: (2R)-2-[(1R)-1-hydroxy-17-[(1S,2R)-2-[(2S,21R,22R)-21-hydroxy-22-methyltetracontan-2-yl]cyclopropyl]heptadecyl]hexacosanoic acid
• CAS: 1192146-80-7
• 化学式: C₈₇H₁₇₂O₄
• 分子量: 1282.32
• InChiKey: VQIFBMCPLMTMMN-ZVGHDIEFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  41
• 重原子数：
  91
• 可旋转键数：
  80
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.99
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (R)-2-{(R)-1-acetoxy-17-[(1S,2R)-2-((1S,20R,21R)-20-hydroxy-1,21-dimethylnonatriacontyl)cyclopropyl]heptadecyl}hexacosanoic acid methyl ester 在 lithium hydroxide monohydrate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 18.0h， 以67%的产率得到(R)-2-{(R)-1-hydroxy-17-[(1S,2R)-2-((1S,20R,21R)-20-hydroxy-1,21-dimethylnonatriacontyl)cyclopropyl]heptadecyl}hexacosanoic acid
  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

文献信息

• US8728515B2
  申请人：——

  公开号：US8728515B2

  公开（公告）日：2014-05-20
• The synthesis of methoxy and keto mycolic acids containing methyl-trans-cyclopropanes
  作者：Gani Koza、Maged Muzael、Richard R. Schubert-Rowles、Cornelia Theunissen、Juma'a R. Al Dulayymi、Mark S. Baird

  DOI：10.1016/j.tet.2013.04.134

  日期：2013.7

  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.