(2R,3S)-pterosin C 3-O-β-(4'-p-coumaroyl)-glucopyranoside | 1008122-39-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (2R,3S)-pterosin C 3-O-β-(4'-p-coumaroyl)-glucopyranoside
• 英文别名: multifidoside B；[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[[(1S,2R)-5-(2-hydroxyethyl)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-1-yl]oxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
• CAS: 1008122-39-1
• 化学式: C₂₉H₃₄O₁₀
• 分子量: 542.583
• InChiKey: XHAHKCFIMDRADG-KDMLICHCSA-N

物化性质

• 沸点：
  796.6±60.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  163
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (2R,3S)-pterosin C 3-O-β-(4'-p-coumaroyl)-glucopyranoside 在 硫酸 作用下， 反应 0.5h， 生成 可得然胶 、 4-香豆酸 、 (2R,3S)-pterosin C
  参考文献：
  名称：

  Cytotoxic Diterpenoids and Sesquiterpenoids from Pteris multifida

  摘要：

  Three new ent-kaurane diterpenoids, named pterokaurane M-1-M-3 (1-3) and three new C-14 pterosin-sesquiterpenoids, named multifidoside A-C (4-6), along with 18 known compounds, were isolated from the whole plants of Pteris multifida. The structures of 1-6 were established using spectroscopic methods, including extensive 2D NMR and CD analyses. Compounds 4 and 5 showed cytotoxicity against the HepG2 tumor cell line with IC50 values of less than 10 mu M.

  DOI：

  10.1021/np0706421

文献信息

• Cytotoxic Diterpenoids and Sesquiterpenoids from Pteris multifida
  作者：Xin Ge、Guan Ye、Ping Li、Wen-Jie Tang、Jin-Li Gao、Wei-Min Zhao

  DOI：10.1021/np0706421

  日期：2008.2.1

  Three new ent-kaurane diterpenoids, named pterokaurane M-1-M-3 (1-3) and three new C-14 pterosin-sesquiterpenoids, named multifidoside A-C (4-6), along with 18 known compounds, were isolated from the whole plants of Pteris multifida. The structures of 1-6 were established using spectroscopic methods, including extensive 2D NMR and CD analyses. Compounds 4 and 5 showed cytotoxicity against the HepG2 tumor cell line with IC50 values of less than 10 mu M.