3β-triphenylmethoxy-15α-hexadecanoyloxy-5α-cholest-8(14)-ene | 714961-65-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3β-triphenylmethoxy-15α-hexadecanoyloxy-5α-cholest-8(14)-ene
• 英文别名: 3b-Triphenylmethoxy-15a-hexadecanoyloxy-5a-cholest-8(14)-ene；[(3S,5S,9R,10S,13R,15S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-trityloxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-yl] hexadecanoate
• CAS: 714961-65-6
• 化学式: C₆₂H₉₀O₃
• 分子量: 883.395
• InChiKey: KJWSOPSTLYKNGX-SRTYFDDNSA-N

物化性质

• 沸点：
  834.4±65.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  19.8
• 重原子数：
  65
• 可旋转键数：
  26
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3β-triphenylmethoxy-15α-hexadecanoyloxy-5α-cholest-8(14)-ene 在 甲酸 、 chromium trioxide-pyridine complex 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 15α-hexadecanoyloxy-5α-cholest-8(14)-en-3β-one
  参考文献：
  名称：

  Palmitates of Isomeric 15-Oxygenated Δ8(14)-Sterols

  摘要：

  3beta-Hexadecanoyloxy-5alpha-cholest-8(14)-en-15-one, 3alpha-hexadecanoyloxy-5alpha-cholest-8(14)-en-15-one, 15beta-hexadecanoyloxy-5alpha-cholest-8(14)-en-3beta-ol, 15alpha-hexadecanoyloxy-5alpha-cholest-8(14)-en-3beta-ol, 15beta-hexadecanoyloxy-5alpha-cholest-8(14)-en-3-one, and 15alpha-hexadecanoyloxy-5alpha-cholest-8(14)-en-3-one were synthesized and their chromatographic and H-1 NMR characteristics were determined.

  DOI：

  10.1023/b:rubi.0000023106.52513.6a
• 作为产物：
  描述：

  3β-hydroxy-5α-cholesta-7,14-diene 在 吡啶 、 N-甲基咪唑 、 lithium aluminium tetrahydride 、 2,4,6-三异丙基苯磺酰氯 、 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 3.33h， 生成 3β-triphenylmethoxy-15α-hexadecanoyloxy-5α-cholest-8(14)-ene
  参考文献：
  名称：

  Palmitates of Isomeric 15-Oxygenated Δ8(14)-Sterols

  摘要：

  3beta-Hexadecanoyloxy-5alpha-cholest-8(14)-en-15-one, 3alpha-hexadecanoyloxy-5alpha-cholest-8(14)-en-15-one, 15beta-hexadecanoyloxy-5alpha-cholest-8(14)-en-3beta-ol, 15alpha-hexadecanoyloxy-5alpha-cholest-8(14)-en-3beta-ol, 15beta-hexadecanoyloxy-5alpha-cholest-8(14)-en-3-one, and 15alpha-hexadecanoyloxy-5alpha-cholest-8(14)-en-3-one were synthesized and their chromatographic and H-1 NMR characteristics were determined.

  DOI：

  10.1023/b:rubi.0000023106.52513.6a