3β,6α-dihydroxyolup-20(29)-ene | 279255-75-3

• 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: 3β,6α-dihydroxyolup-20(29)-ene
• 英文别名: 2β,6α-dihydroxy-20(29)-lupene；3β,6α-dihydroxylup-20(29)-ene；lup-20(29)-ene-3β,6α-diol；lup-20(29)-ene-3β,6β-diol；3β,6α-Lupendiol；(1R,3aR,5aR,5bR,7S,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]chrysene-7,9-diol
• CAS: 279255-75-3
• 化学式: C₃₀H₅₀O₂
• 分子量: 442.726
• InChiKey: DSXMIKAVZFWLFV-PAPKCNLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3β,6α-dihydroxyolup-20(29)-ene 在 chromium trioxide-pyridine complex 作用下， 生成 lup-20(29)-ene-3,6-dione
  参考文献：
  名称：

  Lupene-Type Triterpenes from Periploca aphylla

  摘要：

  Two new lupane derivatives, 3 beta,6 alpha-dihydroxylup-20(29)-ene (1) and 6 alpha-hydroxylup-20(29)-en-3 beta-octadecanoate (2), have been isolated from the stems of Periploca aphylla, in addition to beta-sitosterol and lupeol. The structures of 1 and 2 were determined by spectral and chemical methods. Compound 1 showed strong inhibition of alpha-glucosidase type VI and a moderate antibacterial activity.

  DOI：

  10.1021/np990426v
• 作为产物：
  描述：

  Rigidenol 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 3β,6α-dihydroxyolup-20(29)-ene
  参考文献：
  名称：

  Marta,M. et al., Gazzetta Chimica Italiana, 1979, vol. 109, p. 61 - 64

  摘要：

  DOI：

文献信息

• Lupene-Type Triterpenes from <i>Periploca </i><i>a</i><i>phylla</i>
  作者：Ghulam Mustafa、Erum Anis、Saeed Ahmed、Itrat Anis、Habib Ahmed、Abdul Malik、Syed Shahzad-ul-Hassan、M. Iqbal Choudhary

  DOI：10.1021/np990426v

  日期：2000.6.1

  Two new lupane derivatives, 3 beta,6 alpha-dihydroxylup-20(29)-ene (1) and 6 alpha-hydroxylup-20(29)-en-3 beta-octadecanoate (2), have been isolated from the stems of Periploca aphylla, in addition to beta-sitosterol and lupeol. The structures of 1 and 2 were determined by spectral and chemical methods. Compound 1 showed strong inhibition of alpha-glucosidase type VI and a moderate antibacterial activity.
• Marta,M. et al., Gazzetta Chimica Italiana, 1979, vol. 109, p. 61 - 64
  作者：Marta,M. et al.

  DOI：——

  日期：——