(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13S,14R,16R,18R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol | 94535-24-7

• 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: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13S,14R,16R,18R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• CAS: 94535-24-7
• 化学式: C₃₈H₆₂O₁₂
• 分子量: 710.903
• InChiKey: MCCMBWOVCYTIKJ-MZGWABPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  50
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  177
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13S,14R,16R,18R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 2.5h， 生成 1-O-α-L-rhamnopyranosyl-(1-2)-β-D-xylopyranoside of rhodeasapogenin
  参考文献：
  名称：

  Characterization of a minor compound, which accompanies the usual 22.ALPHA.(R)-O, 25.BETA.(S)-spirostanol glycoside, as a novel type of 22.BETA.(S)-O, 25.ALPHA.(S) analog.

  摘要：

  The structure of one of the minor compounds, which coexists only with a 25β (S)-spirostanol glycoside (a steroid saponin) such as I, II, XI and XV, was determined to be the corresponding 22β (S)-0, 25α (S) analog Ia, IIa, XIa and XVa, respectively. Since it was believed that all the natural spirostanol glycosides have the 22α (R)-O configuration, these compounds are worthy of note as the first glycosides of 22β (S)-O-spirostanol so far isolated.

  DOI：

  10.1248/cpb.32.4229