Acetic acid (2R,3R,4S)-4-dodecyl-2-methyl-5-oxo-tetrahydro-furan-3-yl ester | 385842-95-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: Acetic acid (2R,3R,4S)-4-dodecyl-2-methyl-5-oxo-tetrahydro-furan-3-yl ester
• 英文别名: [(2R,3R,4S)-4-dodecyl-2-methyl-5-oxooxolan-3-yl] acetate
• CAS: 385842-95-5
• 化学式: C₁₉H₃₄O₄
• 分子量: 326.477
• InChiKey: DXQVZDHVXJVGOT-NJAFHUGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  23
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Acetic acid (2R,3R,4S)-4-dodecyl-2-methyl-5-oxo-tetrahydro-furan-3-yl ester 在 aluminum oxide 作用下， 以 氯仿 为溶剂， 以6.7 mg的产率得到2-dodecyl-4α-methyl-2-butenolide
  参考文献：
  名称：

  Chemical Constituents from Alseodaphne andersonii

  摘要：

  Five new compounds, including four C-17 gamma-lactones, dihydroisoobtusilactone (A), dihydroobtusilactorie (2), 3-epilitsenolide D-2 (3), and 3-epilitsenolide D-1 (4), and one furanone alseodafuranone (V were isolated from the root and stem of Alseodaphne andersonii. Their structures were elucidated mainly by spectral analysis (NMR and MS) and partially by chemical correlation.

  DOI：

  10.1021/np010349f
• 作为产物：
  描述：

  3-epi-litsenolide D₂ 在 10percent Pd/C 吡啶 、 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 生成 Acetic acid (2R,3R,4S)-4-dodecyl-2-methyl-5-oxo-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  Chemical Constituents from Alseodaphne andersonii

  摘要：

  Five new compounds, including four C-17 gamma-lactones, dihydroisoobtusilactone (A), dihydroobtusilactorie (2), 3-epilitsenolide D-2 (3), and 3-epilitsenolide D-1 (4), and one furanone alseodafuranone (V were isolated from the root and stem of Alseodaphne andersonii. Their structures were elucidated mainly by spectral analysis (NMR and MS) and partially by chemical correlation.

  DOI：

  10.1021/np010349f