mollugogenol A | 22550-76-1

• 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: mollugogenol A
• 英文别名: (3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7,9-triol
• CAS: 22550-76-1
• 化学式: C₃₀H₅₂O₄
• 分子量: 476.74
• InChiKey: USLXSBTYECTZSS-ZYLZMUJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  34
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  mollugogenol A 生成 3β,6α,16β-Trihydroxy-isohopan
  参考文献：
  名称：

  Chakrabarti,P., Journal of the Indian Chemical Society, 1969, vol. 46, # 1, p. 98 - 99

  摘要：

  DOI：
• 作为产物：
  描述：

  (3S,3aS,4S,5aR,5bR,7S,7aR,11aR,11bR,13aR,13bR)-4,7-Dihydroxy-3-(1-hydroxy-1-methyl-ethyl)-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-cyclopenta[a]chrysen-9-one 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 6.0h， 生成 mollugogenol A
  参考文献：
  名称：

  Triterpenes from Adiantum lunulactum

  摘要：

  The petrol extract of the whole plant of Adiantum lunuactum yielded a new hopane triterpenoid characterized as 6alpha-acetoxy-16beta,22-dihydroxy-3-ketoisohopane, along with the known 3beta,6alpha,16beta,22-tetrahydroxyisohopane (mollugogenol A). The structures were elucidated by spectral as well as chemical studies. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0367-326x(02)00119-3

文献信息

• Chakrabarti,P., Journal of the Indian Chemical Society, 1969, vol. 46, # 1, p. 98 - 99
  作者：Chakrabarti,P.

  DOI：——

  日期：——
• Triterpenes from Adiantum lunulactum
  作者：G Brahmachari、D Chatterjee

  DOI：10.1016/s0367-326x(02)00119-3

  日期：2002.8

  The petrol extract of the whole plant of Adiantum lunuactum yielded a new hopane triterpenoid characterized as 6alpha-acetoxy-16beta,22-dihydroxy-3-ketoisohopane, along with the known 3beta,6alpha,16beta,22-tetrahydroxyisohopane (mollugogenol A). The structures were elucidated by spectral as well as chemical studies. (C) 2002 Elsevier Science B.V. All rights reserved.