2,10,14,22-Tetracosatetraenoic acid,6,7,18,19,24-pentahydroxy-2,6,10,15,19,23-hexamethyl-, methyl ester,(2E,6S,7S,10E,14E,18S,19S,22E)- | 485397-31-7

• 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: 2,10,14,22-Tetracosatetraenoic acid,6,7,18,19,24-pentahydroxy-2,6,10,15,19,23-hexamethyl-, methyl ester,(2E,6S,7S,10E,14E,18S,19S,22E)-
• 英文别名: (2E,10E,14E,22E)-(6S,7S,18S,19S)-6,7,18,19,24-Pentahydroxy-2,6,10,15,19,23-hexamethyl-tetracosa-2,10,14,22-tetraenoic acid methyl ester
• CAS: 485397-31-7
• 化学式: C₃₁H₅₄O₇
• 分子量: 538.766
• InChiKey: ATHKEVKXPPWXTM-PRZZEXHDSA-N

物化性质

• 沸点：
  683.6±55.0 °C(Predicted)
• 密度：
  1.065±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.06
• 重原子数：
  38.0
• 可旋转键数：
  19.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  127.45
• 氢给体数：
  5.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (R)-(+)-α-甲氧基-α-(三氟甲基)苯乙酸 、 2,10,14,22-Tetracosatetraenoic acid,6,7,18,19,24-pentahydroxy-2,6,10,15,19,23-hexamethyl-, methyl ester,(2E,6S,7S,10E,14E,18S,19S,22E)- 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.25h， 以6.9 mg的产率得到(2E,10E,14E,22E)-(6S,7S,18S,19S)-6,19-Dihydroxy-2,6,10,15,19,23-hexamethyl-7,18,24-tris-((R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxy)-tetracosa-2,10,14,22-tetraenoic acid methyl ester
  参考文献：
  名称：

  Concentriols B, C and D, three squalene-type triterpenoids from the ascomycete Daldinia concentrica

  摘要：

  Three squalene-type triterpenoids named concentricols 13, C and D (1-3) were isolated from the ethyl acetate extract of fruiting bodies of the xylariaceous ascomycete Daldinia concentrica. Their absolute structures were elucidated by analysis of 2D NMR, MS, IR and UV spectra, and the modified Mosher's method. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(02)00264-9
• 作为产物：
  描述：

  concentricol B 、 三甲基硅烷化重氮甲烷 以 甲醇 为溶剂， 反应 2.0h， 以16 mg的产率得到2,10,14,22-Tetracosatetraenoic acid,6,7,18,19,24-pentahydroxy-2,6,10,15,19,23-hexamethyl-, methyl ester,(2E,6S,7S,10E,14E,18S,19S,22E)-
  参考文献：
  名称：

  Concentriols B, C and D, three squalene-type triterpenoids from the ascomycete Daldinia concentrica

  摘要：

  Three squalene-type triterpenoids named concentricols 13, C and D (1-3) were isolated from the ethyl acetate extract of fruiting bodies of the xylariaceous ascomycete Daldinia concentrica. Their absolute structures were elucidated by analysis of 2D NMR, MS, IR and UV spectra, and the modified Mosher's method. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(02)00264-9