(5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-Hexamethyl-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene | 65132-06-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-Hexamethyl-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
• 英文别名: 22,29,30-Trisnorhop-17(21)-ene；(5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene
• CAS: 65132-06-1
• 化学式: C₂₇H₄₄
• 分子量: 368.646
• InChiKey: WMOBVRVMMICQCT-ZEFLZXIKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-Hexamethyl-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene 在 ruthenium(IV) oxide 、 sodium periodate 作用下， 以 水 、 丙酮 为溶剂， 反应 3.0h， 以45%的产率得到3-((1R,4aR,4bR,6aS,10aS,10bR,12aS)-1,4a,4b,7,7,10a-Hexamethyl-2-oxo-octadecahydro-chrysen-1-yl)-propionic acid
  参考文献：
  名称：

  Novel hopanoid derivatives released by oxidation of Messel shale kerogen

  摘要：

  Oxidation of Messel share kerogen using ruthenium tetroxide yielded several series of hopanoid triterpenes which have been identified by synthesis. These compounds could originate from hopenes or hopanes of bacterial origin linked to the kerogen; their structures indicate that incorporation processes into macromolecular entities of their biological precursors must occur at a rather early stage of diagenesis. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00261-5
• 作为产物：
  描述：

  (3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-Hexamethyl-icosahydro-cyclopenta[a]chrysen-3-ol 在 吡啶 、 三氯氧磷 作用下， 反应 6.0h， 以82%的产率得到(5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-Hexamethyl-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
  参考文献：
  名称：

  Novel hopanoid derivatives released by oxidation of Messel shale kerogen

  摘要：

  Oxidation of Messel share kerogen using ruthenium tetroxide yielded several series of hopanoid triterpenes which have been identified by synthesis. These compounds could originate from hopenes or hopanes of bacterial origin linked to the kerogen; their structures indicate that incorporation processes into macromolecular entities of their biological precursors must occur at a rather early stage of diagenesis. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00261-5

文献信息

• Novel hopanoid derivatives released by oxidation of Messel shale kerogen
  作者：Christine Reiss、Philippe Blanc、Jean M. Trendel、Pierre Albrecht

  DOI：10.1016/s0040-4020(97)00261-5

  日期：1997.4

  Oxidation of Messel share kerogen using ruthenium tetroxide yielded several series of hopanoid triterpenes which have been identified by synthesis. These compounds could originate from hopenes or hopanes of bacterial origin linked to the kerogen; their structures indicate that incorporation processes into macromolecular entities of their biological precursors must occur at a rather early stage of diagenesis. (C) 1997 Elsevier Science Ltd.