spiroinonotsuoxodiol | 1254172-24-1

• 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: spiroinonotsuoxodiol
• 英文别名: (3S,7S,9R)-3,7-dihydroxy-7(8->9)abeo-lanost-24-en-8-one；(1'R,2S,3R,3aS,3'aR,6S,7aR,7'aR)-2,6-dihydroxy-3a,3'a,7,7,7'a-pentamethyl-1'-[(2R)-6-methylhept-5-en-2-yl]spiro[1,2,4,5,6,7a-hexahydroindene-3,5'-2,3,6,7-tetrahydro-1H-indene]-4'-one
• CAS: 1254172-24-1
• 化学式: C₃₀H₅₀O₃
• 分子量: 458.725
• InChiKey: CRIPBGQVLWFPPG-VUFDTFQMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  spiroinonotsuoxodiol 、 乙酸酐 在 吡啶 作用下， 以100%的产率得到
  参考文献：
  名称：

  An unusual lanostane-type triterpenoid, spiroinonotsuoxodiol, and other triterpenoids from Inonotus obliquus

  摘要：

  An unusual lanostane-type triterpenoid, spiroinonotsuoxodiol (1), and two lanostane-type triterpenoids, inonotsudiol A (2) and inonotsuoxodiol A (3), were isolated from the sclerotia of Inonotus obliquus. Their structures were determined to be (3S,75,9R)-3,7-dihydroxy-7(8 -> 9)abeo-lanost-24-en-8-one (1), lanosta-8,24-dien-3 beta,11 beta-diol (2), and (22R)-3 beta,22-dihydroxylanosta-8,24-dien-11-one (3) on the basis of NMR spectroscopy, including 1D and 2D ((1)H-(1)H COSY, NOESY, HMQC, HMBC) NMR, and FABMS. Compounds 1-3 showed moderate activity against cultured P388, L1210, HL-60 and KB cells. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2010.07.005