12β,20-dihydroxy-16β-acetoxy-17-scalaren-19,20-olide | 1189110-35-7

• 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: 12β,20-dihydroxy-16β-acetoxy-17-scalaren-19,20-olide
• 英文别名: [(4S,5aS,5bR,7aS,11aS,11bR,13R,13aS)-3,13-dihydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-4-yl] acetate
• CAS: 1189110-35-7
• 化学式: C₂₇H₄₀O₆
• 分子量: 460.611
• InChiKey: MFPOTKKSTPNPKG-RYRVHCKJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  12β,20-dihydroxy-16β-acetoxy-17-scalaren-19,20-olide 、 乙酸酐 在 吡啶 作用下， 以4.9 mg的产率得到12β-hydroxy-16β,20α-diacetoxy-17-scalaren-19,20-olide
  参考文献：
  名称：

  Bioactive Scalaranes from the Thai Sponge Hyrtios gumminae

  摘要：

  Chemical investigation of the Thai sponge Hyrtios gumminae collected from Similan Island in the Andaman Sea, Thailand, yielded four new sesterterpenoids, similan A (1), 12 beta,20-dihydroxy-16 beta-acetoxy-17-scAlaren-19,20-olide (2), 12 beta-acetoxy-20-hydroxy-17-scalaren-19,20-olide (3), and 12 beta,16 alpha,20-trihydroxy-17-scalaren-19,20-olide (4), together with seven known compounds. The structures of these new compounds were elucidated on the basis of their spectroscopic data and chemical transformations. Some of the isolated compounds were tested for their cytotoxic activity.

  DOI：

  10.1021/np900267v