19-O-β-D-carboxyglucopyranosyl-12-O-β-D-glucopyranosyl-11,16-dihydroxyabieta-8,11,13-triene | 1011714-20-7

• 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: 19-O-β-D-carboxyglucopyranosyl-12-O-β-D-glucopyranosyl-11,16-dihydroxyabieta-8,11,13-triene
• 英文别名: 19-O-beta-D-carboxyglucopyranosyl-12-O-beta-D-glucopyranosyl-11,16-dihydroxyabieta-8,11,13-triene；[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aS,10aR)-5-hydroxy-7-[(2S)-1-hydroxypropan-2-yl]-1,4a-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
• CAS: 1011714-20-7
• 化学式: C₃₂H₄₈O₁₅
• 分子量: 672.724
• InChiKey: KJRLDWGHZUUHJO-BDONCRHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  47
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  256
• 氢给体数：
  10
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  19-O-β-D-carboxyglucopyranosyl-12-O-β-D-glucopyranosyl-11,16-dihydroxyabieta-8,11,13-triene 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 19-carboxy-11,12,16-trihydroxyabieta-8,11,13-triene
  参考文献：
  名称：

  Abietane Diterpenoids from Clerodendrum bungei

  摘要：

  Five new naturally occurring abietane diterpenoids (1-5) along with three known diterpenoids (6-8) were isolated from an acetone-soluble extract of the roots of Clerodendrum bungei. The structures of the new compounds were elucidated on the basis of spectroscopic analysis and chemical methods. In addition, all compounds were evaluated for cytotoxic activity against the cultured B16 (murine melanoma), HGC-27 (human gastric), and HEK-293 (human epithelial kidney) cell lines. Uncinatone (7) exhibited moderate cytotoxicity, inhibited cell proliferation, and induced cell-cycle G(2)/M phase arrest.

  DOI：

  10.1021/np0703489