yadanziolide U | 1346764-99-5

• 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: yadanziolide U
• 英文别名: (1R,2S,3S,7S,9R,12R,13S,14S,15R,16R,17S)-3,12,15,16-tetrahydroxy-2,6,17-trimethyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
• CAS: 1346764-99-5
• 化学式: C₂₆H₃₈O₁₃
• 分子量: 558.58
• InChiKey: KVWPYBHSCXLTPN-VYEXMLHNSA-N

物化性质

• 沸点：
  827.4±65.0 °C(Predicted)
• 密度：
  1.58±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  224
• 氢给体数：
  8
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  yadanziolide U 在 吡啶 、 盐酸 、 水 作用下， 反应 4.0h， 生成 methyl-2-(D-glucopentahydroxypentyl)thiazolidine-4(R)-carboxylate
  参考文献：
  名称：

  Indole Alkaloids and Quassinoids from the Stems of Brucea mollis

  摘要：

  Seven new indole alkaloids, bruceollines H-N (1-7), three new quassinoids, yadanziolides T-V (10-12), and four known analogues, bruceolline E (8), bruceolline F (9), bruceine D (13), and yadanziolide B (14), were isolated from an ethanol extract of the stems of Brucea mollis. The absolute configurations of compounds 2 and 5 were determined by comparison of their experimental and calculated ECD spectra. The absolute configuration of the known compound 9 was determined by using Mo-2(OAc)(4)-induced CD analysis for the first time. Compounds 10, 13, and 14 exhibited cytotoxic activities with IC50 values of 3.00-5.81 mu M.

  DOI：

  10.1021/np200712y

文献信息

• Indole Alkaloids and Quassinoids from the Stems of <i>Brucea mollis</i>
  作者：Hui Chen、Jian Bai、Zhen-Feng Fang、Shi-Shan Yu、Shuang-Gang Ma、Song Xu、Yong Li、Jing Qu、Jin-Hong Ren、Li Li、Yi-Kang Si、Xiao-Guang Chen

  DOI：10.1021/np200712y

  日期：2011.11.28

  Seven new indole alkaloids, bruceollines H-N (1-7), three new quassinoids, yadanziolides T-V (10-12), and four known analogues, bruceolline E (8), bruceolline F (9), bruceine D (13), and yadanziolide B (14), were isolated from an ethanol extract of the stems of Brucea mollis. The absolute configurations of compounds 2 and 5 were determined by comparison of their experimental and calculated ECD spectra. The absolute configuration of the known compound 9 was determined by using Mo-2(OAc)(4)-induced CD analysis for the first time. Compounds 10, 13, and 14 exhibited cytotoxic activities with IC50 values of 3.00-5.81 mu M.