20(29)-lupene-3β-isoferulate | 816429-13-7

• 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: 20(29)-lupene-3β-isoferulate
• 英文别名: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
• CAS: 816429-13-7
• 化学式: C₄₀H₅₈O₄
• 分子量: 602.898
• InChiKey: FKPQGZKVKUXBGD-HIORVUNJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  20(29)-lupene-3β-isoferulate 在 氢氧化钾 作用下， 生成 羽扇豆醇
  参考文献：
  名称：

  Antibacterial Activity of Naphthoquinones and Triterpenoids from Euclea natalensis Root Bark

  摘要：

  Phytochemical studies of an ethanolic extract of Euclea natalensis root bark afforded two new compounds, octahydroeuclein (1) and 20(29)-lupene-3beta-isoferulate (2), in addition to three known compounds, shinanolone (3), lupeol, and betulin. The chemical structures of 1 and 2 were determined by spectroscopic means. Shinanolone (3) showed inhibitory activity against Gram-positive bacterial strains and a drug-sensitive strain of Mycobacterium tuberculosis at a concentration of 0.1 mg/mL.

  DOI：

  10.1021/np030465d

文献信息

• Antibacterial Activity of Naphthoquinones and Triterpenoids from <i>Euclea </i><i>n</i><i>atalensis</i> Root Bark
  作者：Oliver Weigenand、Ahmed A. Hussein、Namrita Lall、Jacobus J. M. Meyer

  DOI：10.1021/np030465d

  日期：2004.11.1

  Phytochemical studies of an ethanolic extract of Euclea natalensis root bark afforded two new compounds, octahydroeuclein (1) and 20(29)-lupene-3beta-isoferulate (2), in addition to three known compounds, shinanolone (3), lupeol, and betulin. The chemical structures of 1 and 2 were determined by spectroscopic means. Shinanolone (3) showed inhibitory activity against Gram-positive bacterial strains and a drug-sensitive strain of Mycobacterium tuberculosis at a concentration of 0.1 mg/mL.