3-O-β-D-glucopyranosyl-3β,12β-dihydroxy-22, 23, 24, 25, 26, 27-hexanordammarane-20-one | 1264297-87-1

• 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
• 英文名称: 3-O-β-D-glucopyranosyl-3β,12β-dihydroxy-22, 23, 24, 25, 26, 27-hexanordammarane-20-one
• 英文别名: ginsenoside R10；1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
• CAS: 1264297-87-1
• 化学式: C₃₀H₅₀O₈
• 分子量: 538.722
• InChiKey: JCDLEOXHWIOREJ-LSPUWUFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  137
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-O-β-D-glucopyranosyl-3β,12β-dihydroxy-22, 23, 24, 25, 26, 27-hexanordammarane-20-one 在 盐酸 作用下， 以 水 为溶剂， 生成 可得然胶
  参考文献：
  名称：

  A novel hexanordammarane glycoside from the leaves and stems of Panax quinquefolium L.

  摘要：

  One novel hexanordammarane glycoside, ginsenoside R-10, was isolated from the leaves and stems of Panax quinquefolium L. as a minor constituent. It is the first time that a hexanordammarane glycoside isolated from the plant of Panax quinquefolium L. Its structure was elucidated as 3-O-beta-D-glucopyranosyl-3 beta, 12 beta-dihydroxy-22, 23, 24, 25, 26, 27-hexanordammarane-20-one (1), by the combination analysis of one-dimensional NMR, two-dimensional NMR and mass spectrometry.

  DOI：

  10.1080/14786419.2010.551768

文献信息

• A novel hexanordammarane glycoside from the leaves and stems of <i>Panax quinquefolium</i> L.
  作者：Jin-Ping Liu、Dan Lu、Ping-Ya Li

  DOI：10.1080/14786419.2010.551768

  日期：2012.4.1

  One novel hexanordammarane glycoside, ginsenoside R-10, was isolated from the leaves and stems of Panax quinquefolium L. as a minor constituent. It is the first time that a hexanordammarane glycoside isolated from the plant of Panax quinquefolium L. Its structure was elucidated as 3-O-beta-D-glucopyranosyl-3 beta, 12 beta-dihydroxy-22, 23, 24, 25, 26, 27-hexanordammarane-20-one (1), by the combination analysis of one-dimensional NMR, two-dimensional NMR and mass spectrometry.