28β-formyl-3β,7β,19α-trihydroxyarbor-9(11)-en-3-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside | 1338588-94-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 28β-formyl-3β,7β,19α-trihydroxyarbor-9(11)-en-3-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside
• 英文别名: rubiarboside G 28-al；(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-3a-formyl-1,6-dihydroxy-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside；(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-1,6-dihydroxy-5a,8,8,11a,13a-pentamethyl-3-propan-2-yl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-3a-carbaldehyde
• CAS: 1338588-94-5
• 化学式: C₄₂H₆₈O₁₄
• 分子量: 796.994
• InChiKey: LILZAHFTZBUNDM-REZAIECBSA-N

物化性质

• 沸点：
  907.1±65.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  56
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  236
• 氢给体数：
  9
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  28β-formyl-3β,7β,19α-trihydroxyarbor-9(11)-en-3-O-β-D-glucopyranosyl-(1->6)-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.