(2aR,2a1R,3S,7aR,8R,8aS,8bS,11R,12aS,14R,14aS,14bS)-2a1,3,8b-trimethyl-6-oxo-8-(phenylamino)icosahydro-1H-naphtho[2',1':4,5]indeno[7,1-bc]oxocine-11,14-diyl diacetate | 1398103-94-0

• 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: (2aR,2a1R,3S,7aR,8R,8aS,8bS,11R,12aS,14R,14aS,14bS)-2a1,3,8b-trimethyl-6-oxo-8-(phenylamino)icosahydro-1H-naphtho[2',1':4,5]indeno[7,1-bc]oxocine-11,14-diyl diacetate
• CAS: 1398103-94-0
• 化学式: C₃₄H₄₇NO₆
• 分子量: 565.75
• InChiKey: GXWHCSJRAPGDJT-DPQDMEMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.16
• 重原子数：
  41.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  90.93
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  methyl 3α,7α-diacetyl-11α,12α-epoxy-5β-cholan-24-oate 、 苯胺 以 乙醇 、 甲苯 为溶剂， 反应 24.25h， 以88%的产率得到(2aR,2a1R,3S,7aR,8R,8aS,8bS,11R,12aS,14R,14aS,14bS)-2a1,3,8b-trimethyl-6-oxo-8-(phenylamino)icosahydro-1H-naphtho[2',1':4,5]indeno[7,1-bc]oxocine-11,14-diyl diacetate
  参考文献：
  名称：

  Stereoselective synthesis of pentacyclic steroids functionalized at C-11

  摘要：

  We set out to describe an efficient and versatile method for preparing pentacyclic steroids diversely substituted at C-11 from cholic acid, via a stereoselective epoxidation and the epoxide opening as the key steps. The characteristic H-1 and C-13 NMR spectroscopic features of the synthesized compounds are reported. (C) 2012 Published by Elsevier Inc.

  DOI：

  10.1016/j.steroids.2012.04.004