2-carbomethoxy-1,4-naphthohydroquinone-4-O-β-D-glucopyranoside | 1338589-03-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-carbomethoxy-1,4-naphthohydroquinone-4-O-β-D-glucopyranoside
• 英文别名: rubinaphthin A methyl ester；methyl 1-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylate
• CAS: 1338589-03-9
• 化学式: C₁₈H₂₀O₉
• 分子量: 380.351
• InChiKey: ZZJSOQXSWDNDJW-AEWXESQOSA-N

物化性质

• 沸点：
  652.0±55.0 °C(Predicted)
• 密度：
  1.540±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-carbomethoxy-1,4-naphthohydroquinone-4-O-β-D-glucopyranoside 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 生成 葡萄糖
  参考文献：
  名称：

  Biologically Active Arborinane-Type Triterpenoids and Anthraquinones from Rubia yunnanensis

  摘要：

  Twelve new arborinane-type triterpenoids (1-12) and four new anthraquinones (13-16), together with 50 known compounds, were isolated from the roots of Rubia yunnanensis. The structures of 1-16 were elucidated by spectroscopic data analysis and chemical methods. All compounds were evaluated for their cytotoxic, antibacterial, and antifungal activities. Rubiyunnanol C (5) is the first example of an arborinane-type triterpenoid with a double bond at C-8-C-9.

  DOI：

  10.1021/np2002918

文献信息

• Biologically Active Arborinane-Type Triterpenoids and Anthraquinones from <i>Rubia yunnanensis</i>
  作者：Jun-Ting Fan、Bin Kuang、Guang-Zhi Zeng、Si-Meng Zhao、Chang-Jiu Ji、Yu-Mei Zhang、Ning-Hua Tan

  DOI：10.1021/np2002918

  日期：2011.10.28

  Twelve new arborinane-type triterpenoids (1-12) and four new anthraquinones (13-16), together with 50 known compounds, were isolated from the roots of Rubia yunnanensis. The structures of 1-16 were elucidated by spectroscopic data analysis and chemical methods. All compounds were evaluated for their cytotoxic, antibacterial, and antifungal activities. Rubiyunnanol C (5) is the first example of an arborinane-type triterpenoid with a double bond at C-8-C-9.