3,17-dimethyl-18,19-dinor-17α-cholesta-1,3,5,7,9,11,13-heptaene | 129825-33-8

• 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: 3,17-dimethyl-18,19-dinor-17α-cholesta-1,3,5,7,9,11,13-heptaene
• 英文别名: (17S)-3,17-dimethyl-17-[(2R)-6-methylheptan-2-yl]-15,16-dihydrocyclopenta[a]phenanthrene
• CAS: 129825-33-8
• 化学式: C₂₇H₃₄
• 分子量: 358.567
• InChiKey: OJUUVFJKMJUPIX-HRFSGMKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  4-胆甾烯-3-酮 在 palladium on activated charcoal 氢气 、 四氯苯醌 、 对甲苯磺酸 、 苯甲醚 、 菲醌 作用下， 以 乙醚 、 乙醇 、 正己烷 、 甲苯 为溶剂， 反应 50.5h， 生成 3,17-dimethyl-18,19-dinor-17α-cholesta-1,3,5,7,9,11,13-heptaene
  参考文献：
  名称：

  Synthesis of triaromatic steroid hydrocarbons methylated at position 2, 3 or 6: molecular fossils of yet unknown biological origin

  摘要：

  C-21-29 triaromatic steroid hydrocarbons bearing a methyl group at unusual positions 2, 3 or 6 have been synthesized from pregnenolone, cholesterol or stigmasterol via stera-3,5-dienes. Their occurrence in various sedimentary rocks and petroleums suggests the presence of yet unknown biological precursors.

  DOI：

  10.1016/s0040-4020(01)80848-6

文献信息

• Occurrence of 2-methyl-, 3-methyl- and 6-methyltriaromatic steroid hydrocarbons in geological samples.
  作者：E. Lichtfouse、J. Riolo、P. Albrecht

  DOI：10.1016/s0040-4039(00)97511-7

  日期：1990.1

  Triaromatic steroid hydrocarbons bearing a methyl substituent at position 2, 3, or 6 have been identified in marine sediments and petroleums from the Paris basin by comparison with C21 (1,2, 3), C27 (4) and C29 (5) synthetic standards. Due to their formation with depth they are useful for maturity studies.

  通过与C 21（1,2，3），C 27（4）和C 29（5 ）的比较，在巴黎盆地的海洋沉积物和石油中鉴定出在2、3或6位带有甲基取代基的三芳族甾族烃。）综合标准。由于其形成的深度，它们可用于成熟度研究。
• Synthesis of triaromatic steroid hydrocarbons methylated at position 2, 3 or 6: molecular fossils of yet unknown biological origin
  作者：Eric Lichtfouse、Pierre Albrecht

  DOI：10.1016/s0040-4020(01)80848-6

  日期：1994.1

  C-21-29 triaromatic steroid hydrocarbons bearing a methyl group at unusual positions 2, 3 or 6 have been synthesized from pregnenolone, cholesterol or stigmasterol via stera-3,5-dienes. Their occurrence in various sedimentary rocks and petroleums suggests the presence of yet unknown biological precursors.