cynaphylloside E | 471915-43-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cynaphylloside E
• 英文别名: [(1R)-2-[(1R,4aR,6S,8aR)-6-[(2R,4S,5R,6R)-5-[(2S,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4a-hydroxy-8a-methyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]-1-[(1S,2S)-2-acetyl-1-methyl-5-oxocyclopentyl]ethyl] (E)-3-phenylprop-2-enoate
• CAS: 471915-43-2
• 化学式: C₅₀H₇₀O₁₇
• 分子量: 943.096
• InChiKey: QCZWXWXXNKHGEE-UPNXMNEXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  67
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  232
• 氢给体数：
  4
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  cynaphylloside E 在 硫酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以14.0 mg的产率得到(12R)-12-cinnamoyloxy-3β,5-dihydroxy-8,14-seco-5β,17β-pregn-6-ene-8,14,20-trione
  参考文献：
  名称：

  Pregnane and Pregnane Glycosides from the Malagasy Plant, Cynanchum aphyllum.

  摘要：

  A new 8,14-seco-pregnane type of steroid called cynaphyllogenin and its eight glycosides, cynaphyllosides A—H, were isolated from the aerial parts of Cynanchum aphyllum. The structures of these compounds were elucidated based on chemical and spectroscopic evidence.

  DOI：

  10.1248/cpb.50.1031
• 作为产物：
  描述：

  cynaphylloside H 在 hesperidinase 作用下， 以 甲醇 、 水 为溶剂， 反应 168000.0h， 以8.0 mg的产率得到cynaphylloside E
  参考文献：
  名称：

  Pregnane and Pregnane Glycosides from the Malagasy Plant, Cynanchum aphyllum.

  摘要：

  A new 8,14-seco-pregnane type of steroid called cynaphyllogenin and its eight glycosides, cynaphyllosides A—H, were isolated from the aerial parts of Cynanchum aphyllum. The structures of these compounds were elucidated based on chemical and spectroscopic evidence.

  DOI：

  10.1248/cpb.50.1031