24-甲基胆甾烷-3,5,6,22,24-五醇6-乙酸酯 | 96736-31-1

• 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
• 中文名称: 24-甲基胆甾烷-3,5,6,22,24-五醇6-乙酸酯
• 英文名称: 24ξ-methyl-5α-cholestane-3β,5,6β,22R,24-pentol 6-acetate
• 英文别名: 6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol；[(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3,5-dihydroxy-5,6-dimethylheptan-2-yl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] acetate
• CAS: 96736-31-1
• 化学式: C₃₀H₅₂O₆
• 分子量: 508.739
• InChiKey: DSWIQYPNVUWDSX-HRVLZDRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  107
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  24-甲基胆甾烷-3,5,6,22,24-五醇6-乙酸酯 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 0.42h， 以1.5 mg的产率得到24ξ-methyl-5α-cholestane-3β,5,6β,22R,24-pentol
  参考文献：
  名称：

  24ξ-Methyl-5α-cholestane-3β,5,6β.22r.24-pentol 6-acetate: New polyhydroxylated sterol from the soft coral asterospicularia randalli.

  摘要：

  A monoacetylated pentahydroxylated sterol has been isolated from the soft coral Asterospicularia randalli collected at Guam Is. in the Pacific. The unusual feature of this sterol is the presence of a hydroxyl group at C-22. The structure was determined by spectral analyses of the new sterol and several transformation products. Proton-carbon correlated spectra were used to make 13C chemical shift assignments.

  DOI：

  10.1016/0039-128x(84)90026-6

文献信息

• 24ξ-Methyl-5α-cholestane-3β,5,6β.22r.24-pentol 6-acetate: New polyhydroxylated sterol from the soft coral asterospicularia randalli.
  作者：Mohamad B. Ksebati、Francis J. Schmitz

  DOI：10.1016/0039-128x(84)90026-6

  日期：1984.6

  A monoacetylated pentahydroxylated sterol has been isolated from the soft coral Asterospicularia randalli collected at Guam Is. in the Pacific. The unusual feature of this sterol is the presence of a hydroxyl group at C-22. The structure was determined by spectral analyses of the new sterol and several transformation products. Proton-carbon correlated spectra were used to make 13C chemical shift assignments.