(5,6-dihydroxycoumarin-5-dodecanoate-6-yl)-6β-D-glucopyranoside | 1256761-35-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: (5,6-dihydroxycoumarin-5-dodecanoate-6-yl)-6β-D-glucopyranoside
• 英文别名: altheacoumaryl glucoside；[2-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-yl] dodecanoate
• CAS: 1256761-35-9
• 化学式: C₂₇H₃₈O₁₀
• 分子量: 522.593
• InChiKey: RXVZKLPVUMEPOJ-KAPITKBASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  37
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  152
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (5,6-dihydroxycoumarin-5-dodecanoate-6-yl)-6β-D-glucopyranoside 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 月桂酸 、 5,6-二羟基香豆素 、 葡萄糖
  参考文献：
  名称：

  Phytochemical investigation of the seeds ofAlthea officinalisL.

  摘要：

  Phytochemical investigation of the seeds of Althea officinalis L. (Malvaceae) led to the isolation of three new phytoconstituents, identified as n-hexacos-2-enyl-1,5-olide (altheahexacosanyl lactone), 2-hydroxycalamene (altheacalamene) and 5,6-dihydroxycoumarin-5-dodecanoate-6-D-glucopyranoside (altheacoumarin glucoside), along with the known phytoconstituents lauric acid, -sitosterol and lanosterol. The structures of these compounds were established on the basis of spectral analysis and chemical reactions.

  DOI：

  10.1080/14786411003650777

文献信息

• Phytochemical investigation of the seeds of<i>Althea officinalis</i>L.
  作者：Sunita Rani、Suroor A. Khan、M. Ali

  DOI：10.1080/14786411003650777

  日期：2010.9.10

  Phytochemical investigation of the seeds of Althea officinalis L. (Malvaceae) led to the isolation of three new phytoconstituents, identified as n-hexacos-2-enyl-1,5-olide (altheahexacosanyl lactone), 2-hydroxycalamene (altheacalamene) and 5,6-dihydroxycoumarin-5-dodecanoate-6-D-glucopyranoside (altheacoumarin glucoside), along with the known phytoconstituents lauric acid, -sitosterol and lanosterol. The structures of these compounds were established on the basis of spectral analysis and chemical reactions.