3,28-dipalmitoyl-lup-20(29)-en-2α,3β,28-triol | 169134-55-8

• 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: 3,28-dipalmitoyl-lup-20(29)-en-2α,3β,28-triol
• 英文别名: [(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9-hexadecanoyloxy-10-hydroxy-5a,5b,8,8,11a-pentamethyl-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-3a-yl]methyl hexadecanoate
• CAS: 169134-55-8
• 化学式: C₆₂H₁₁₀O₅
• 分子量: 935.552
• InChiKey: RHHIAWXSQKGCMB-NGVVZOSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.1
• 重原子数：
  67
• 可旋转键数：
  34
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,28-dipalmitoyl-lup-20(29)-en-2α,3β,28-triol 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 lup-20(29)-en-2α,3β,28-triol
  参考文献：
  名称：

  Brassinosteroids, sterols and lup-20(29)-en-2α,3β,28-triol from Rheum Rhabarbarum

  摘要：

  The new pentacyclic triterpene lup-20(29)-en-2 alpha,3 beta,28-triol and its 3,28-dipalmitoyl ester were identified from panicles of Rheum rhabarbarum on the basis of their spectral data (H-1 NMR,. C-13 NMR, MS, IR). Besides the brassinosteroids brassinolide, castasterone and 24-epicastasterone, the phytosterols campesterol, stigmasterol, sitosterol and isofucosterol were identified from the same plant material.

  DOI：

  10.1016/0031-9422(95)00297-k

文献信息

• Brassinosteroids, sterols and lup-20(29)-en-2α,3β,28-triol from Rheum Rhabarbarum
  作者：Jürgen Schmidt、Uwe Himmelreich、Günter Adam

  DOI：10.1016/0031-9422(95)00297-k

  日期：1995.9

  The new pentacyclic triterpene lup-20(29)-en-2 alpha,3 beta,28-triol and its 3,28-dipalmitoyl ester were identified from panicles of Rheum rhabarbarum on the basis of their spectral data (H-1 NMR,. C-13 NMR, MS, IR). Besides the brassinosteroids brassinolide, castasterone and 24-epicastasterone, the phytosterols campesterol, stigmasterol, sitosterol and isofucosterol were identified from the same plant material.