5-Methyl-3-{(R)-2,6,11-trihydroxy-11-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-undecyl}-5H-furan-2-one | 194413-43-9

• 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: 5-Methyl-3-{(R)-2,6,11-trihydroxy-11-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-undecyl}-5H-furan-2-one
• 英文别名: rel-5-Methyl-3-[(11R)-2,6,11-trihydroxy-11-[(2R,2a(2)R,5R,5a(2)R)-octahydro-5a(2)-[(1R)-1-hydroxyundecyl][2,2a(2)-bifuran]-5-yl]undecyl]-2(5H)-furanone；2-methyl-4-[(11R)-2,6,11-trihydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2H-furan-5-one
• CAS: 194413-43-9
• 化学式: C₃₅H₆₂O₈
• 分子量: 610.872
• InChiKey: ZZFFUICBXFIPAB-DSHRFHBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  43
• 可旋转键数：
  23
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 5-Methyl-3-{(R)-2,6,11-trihydroxy-11-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-undecyl}-5H-furan-2-one 在 吡啶 作用下， 生成 Acetic acid (R)-6,10-diacetoxy-1-[(2R,5R,2'R,5'R)-5'-((R)-1-acetoxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-11-(5-methyl-2-oxo-2,5-dihydro-furan-3-yl)-undecyl ester
  参考文献：
  名称：

  Annonisin, a bis-tetrahydrofuran acetogenin from Annona atemoya seeds

  摘要：

  A new C-35 tetrahydroxy adjacent bis-tetrahydrofuran acetogenin, annonisin, has been isolated from the methanol extract of Annona atemoya seeds and characterized by spectroscopic techniques, in addition to the known compounds, molvizarin, parviflorin, rolliniastatin-1, asimicin, motrilin, cherimolin-1, cherimolin-2, almunequin and annonacin. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(97)00153-2