soulieana acid | 1620001-23-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 糖脂
• 英文名称: soulieana acid
• 英文别名: soulieana acid 1
• CAS: 1620001-23-1
• 化学式: C₂₂H₂₂O₁₂
• 分子量: 478.409
• InChiKey: JRZFVUSEOXADPO-DRASZATQSA-N

物化性质

• 沸点：
  863.7±65.0 °C(Predicted)
• 密度：
  1.637±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.61
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  211.28
• 氢给体数：
  7.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  soulieana acid 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 2.0h， 生成 葡萄糖
  参考文献：
  名称：

  A novel phenolic acid from the fruits of Rosa soulieana

  摘要：

  From the n-BuOH-soluble fraction of a MeOH extract of the fruits of Rosa soulieana, one new phenolic glucoside (1) was isolated along with five known compounds, comprising two lignin glycosides, two flavonoid glycosides and a phenolic glycoside. The chemical structure of the new compound was elucidated by extensive spectroscopic analyses, including ESI-MS, UV, IR, H-1 and C-13 NMR, DEPT and 2D NMR (HSQC and HMBC). All the isolated compounds were evaluated for their antioxidant activity by using ABTS (2,2-azino-bis(3-ethylbenzoline-6-sulfonic acid)) assay. Among these compounds, 1, 3 and 6 exhibited strong scavenging activity in ABTS(+)(SC50=102.10, 193.85, 65.38mol/L, respectively) compared with the positive control l-ascorbic acid (Vc) (SC50=117.16mol/L).

  DOI：

  10.1080/14786419.2014.915826

文献信息

• A novel phenolic acid from the fruits of <i>Rosa soulieana</i>
  作者：Wenjun He、Chunyan Yang、Mingkui Wang、Fu Li

  DOI：10.1080/14786419.2014.915826

  日期：2014.8.3

  From the n-BuOH-soluble fraction of a MeOH extract of the fruits of Rosa soulieana, one new phenolic glucoside (1) was isolated along with five known compounds, comprising two lignin glycosides, two flavonoid glycosides and a phenolic glycoside. The chemical structure of the new compound was elucidated by extensive spectroscopic analyses, including ESI-MS, UV, IR, H-1 and C-13 NMR, DEPT and 2D NMR (HSQC and HMBC). All the isolated compounds were evaluated for their antioxidant activity by using ABTS (2,2-azino-bis(3-ethylbenzoline-6-sulfonic acid)) assay. Among these compounds, 1, 3 and 6 exhibited strong scavenging activity in ABTS(+)(SC50=102.10, 193.85, 65.38mol/L, respectively) compared with the positive control l-ascorbic acid (Vc) (SC50=117.16mol/L).