(3R,5S,8S,10S,13R,14S,17R)-3-Benzyloxy-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene | 334699-47-7

• 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: (3R,5S,8S,10S,13R,14S,17R)-3-Benzyloxy-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
• 英文别名: (3R,5S,8S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenylmethoxy-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
• CAS: 334699-47-7
• 化学式: C₃₄H₅₂O
• 分子量: 476.786
• InChiKey: HBVBUNVRNLNMDI-FWFOGJSHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (3R,5S,8S,10S,13R,14S,17R)-3-Benzyloxy-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 在 钯 sodium hydroxide 、 锂硼氢 、 lutidine 、 氢气 、 双氧水 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 儿萘酚硼烷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙醇 、 溶剂黄146 为溶剂， 反应 112.0h， 生成 (1R,2R,8S,9S,10R,11R,13R,14S,17R)-11-(tert-Butyl-dimethyl-silanyloxy)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,8,9,10,11,12,13,14,15,16,17-dodecahydro-20-oxa-cyclopropa[1,2]cyclopenta[a]phenanthren-3-one
  参考文献：
  名称：

  A synthetic approach towards stoloniferones: synthesis of 11-acetyl-24-desmethyl-stoloniferone C

  摘要：

  The synthesis of 11 alpha -acetoxy-5 beta ,6 beta -epoxycholest-2-en-1-one, a compound containing the nuclear functionalities of the stoloniferones, is described starting from dihydrocholesterol. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)02306-6
• 作为产物：
  描述：

  [(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodobenzoate 在 磺酰氯 、 四丁基碘化铵 、 sodium hydride 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 四氯化碳 为溶剂， 反应 26.0h， 生成 (3R,5S,8S,10S,13R,14S,17R)-3-Benzyloxy-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
  参考文献：
  名称：

  A synthetic approach towards stoloniferones: synthesis of 11-acetyl-24-desmethyl-stoloniferone C

  摘要：

  The synthesis of 11 alpha -acetoxy-5 beta ,6 beta -epoxycholest-2-en-1-one, a compound containing the nuclear functionalities of the stoloniferones, is described starting from dihydrocholesterol. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)02306-6