Acetic acid (1R,7R,12R)-7,12-dihydroxy-1-(5-hydroxy-5-methyl-2-oxo-2,5-dihydro-furan-3-ylmethyl)-12-[(2R,5R)-5-((R)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-dodecyl ester | 209116-40-5

• 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: Acetic acid (1R,7R,12R)-7,12-dihydroxy-1-(5-hydroxy-5-methyl-2-oxo-2,5-dihydro-furan-3-ylmethyl)-12-[(2R,5R)-5-((R)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-dodecyl ester
• 英文别名: donnaienin C；[(2R,8R,13R)-8,13-dihydroxy-1-(5-hydroxy-5-methyl-2-oxofuran-3-yl)-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecan-2-yl] acetate
• CAS: 209116-40-5
• 化学式: C₃₇H₆₆O₉
• 分子量: 654.926
• InChiKey: MULMKVZTRRCCJX-JUGXOWTMSA-N

物化性质

• 沸点：
  785.6±60.0 °C(Predicted)
• 密度：
  1.086±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  46
• 可旋转键数：
  28
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  143
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Acetic acid (1R,7R,12R)-7,12-dihydroxy-1-(5-hydroxy-5-methyl-2-oxo-2,5-dihydro-furan-3-ylmethyl)-12-[(2R,5R)-5-((R)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-dodecyl ester 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Two Epimeric Pairs of C-4-Acetyl Annonaceous Acetogenins fromGoniothalamus donnaiensis

  摘要：

  Further studies on the roots of Goniothalamus donnaiensis Finet et Gagnap (Annonaceae) led to the isolation of two pairs of Annonaceous acetogenins, donnaienin C (1) and 34-epi-donnaienin C (1′), donnaienin D (2) and 34-epi-donnaienin D (2′), containing a rare γ-hydroxymethyl-γ-lactone moiety and a C-4-acetoxy group. Their structures were elucidated by spectral data and chemical derivatization. Preliminary pharmacological tests showed that the mixture of donnaienin C(1) and 34-epi-donnaienin C (1′) inhibited human hepatoma (Bel) cell lines in vitro (IC50, 7.1 µg/ml).

  DOI：

  10.1055/s-2006-957452