6-oxo-5α-androst-2-ene-17β-yl heptafluorobutyrate | 882500-73-4

• 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: 6-oxo-5α-androst-2-ene-17β-yl heptafluorobutyrate
• 英文别名: [(5S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-6-oxo-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptafluorobutanoate
• CAS: 882500-73-4
• 化学式: C₂₃H₂₇F₇O₃
• 分子量: 484.454
• InChiKey: KXBZWWVXOGWDIP-NZMTWYKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  6-oxo-5α-androst-2-ene-17β-yl heptafluorobutyrate 在 disodium hydrogenphosphate 、 Persteril(R) 作用下， 以 氯仿 为溶剂， 以74%的产率得到2α,3α-oxido-6-oxo-5α-androstan-17β-yl heptafluorobutyrate
  参考文献：
  名称：

  Syntheses of new androstane brassinosteroids with 17β-ester groups—butyrates, heptafluorobutyrates, and laurates

  摘要：

  New androstane brassinosteroids with 17 beta-ester groups - butyrates, heptafluorobutyrates, and laurates (4-18) - were prepared. Brassinolide activity was evaluated using both the bean second internode bioassay and the rice lamina inclination test. Brassinosteroid 16 was found to be the most active by the bean second internode bioassay. This activity in the bean second internode bioassay corresponded with the field yield, while the RLIT bioassay does not. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2005.04.005
• 作为产物：
  描述：

  17β-hydroxy-6-oxo-androst-2-ene 、 七氟丁酸酐 以 吡啶 为溶剂， 以42%的产率得到6-oxo-5α-androst-2-ene-17β-yl heptafluorobutyrate
  参考文献：
  名称：

  Syntheses of new androstane brassinosteroids with 17β-ester groups—butyrates, heptafluorobutyrates, and laurates

  摘要：

  New androstane brassinosteroids with 17 beta-ester groups - butyrates, heptafluorobutyrates, and laurates (4-18) - were prepared. Brassinolide activity was evaluated using both the bean second internode bioassay and the rice lamina inclination test. Brassinosteroid 16 was found to be the most active by the bean second internode bioassay. This activity in the bean second internode bioassay corresponded with the field yield, while the RLIT bioassay does not. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2005.04.005

文献信息

• Syntheses of new androstane brassinosteroids with 17β-ester groups—butyrates, heptafluorobutyrates, and laurates
  作者：M SISA、J HNILICKOVA、J SWACZYNOVA、L KOHOUT

  DOI：10.1016/j.steroids.2005.04.005

  日期：2005.10

  New androstane brassinosteroids with 17 beta-ester groups - butyrates, heptafluorobutyrates, and laurates (4-18) - were prepared. Brassinolide activity was evaluated using both the bean second internode bioassay and the rice lamina inclination test. Brassinosteroid 16 was found to be the most active by the bean second internode bioassay. This activity in the bean second internode bioassay corresponded with the field yield, while the RLIT bioassay does not. (c) 2005 Elsevier Inc. All rights reserved.