(3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol | 942209-13-4

• 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: (3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
• 英文别名: (3S,4R,8R,9S,10S,13S,14S,17S)-10-ethenyl-13-methyl-4-prop-2-enyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 942209-13-4
• 化学式: C₂₃H₃₄O₂
• 分子量: 342.522
• InChiKey: FFAZSAAUQAPBJT-NJRYMHDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol 在 Schrock catalyst 咪唑 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Bridged androstenediol analogs as ER-β selective SERMs

  摘要：

  A series of bridged androstenediol derivatives was prepared. The bridged compounds exhibited reduced ER-beta selectivity relative to uncyclized analogs. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.053
• 作为产物：
  描述：

  在 吡啶 、 sodium tetrahydroborate 、 氢氟酸 、 potassium tert-butylate 、 乙酸酐 、 aluminum isopropoxide 、 sodium iodide 作用下， 以 乙醇 、 甲苯 、 叔丁醇 为溶剂， 生成 (3S,4R,8R,9S,10S,13S,14S,17S)-4-allyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
  参考文献：
  名称：

  Bridged androstenediol analogs as ER-β selective SERMs

  摘要：

  A series of bridged androstenediol derivatives was prepared. The bridged compounds exhibited reduced ER-beta selectivity relative to uncyclized analogs. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.053

文献信息

• Bridged androstenediol analogs as ER-β selective SERMs
  作者：Timothy A. Blizzard、Candido Gude、Wanda Chan、Elizabeth T. Birzin、Marina Mojena、Consuelo Tudela、Fang Chen、Kristin Knecht、Qin Su、Bryan Kraker、Mark A. Holmes、Susan P. Rohrer、Milton L. Hammond

  DOI：10.1016/j.bmcl.2006.12.053

  日期：2007.5

  A series of bridged androstenediol derivatives was prepared. The bridged compounds exhibited reduced ER-beta selectivity relative to uncyclized analogs. (c) 2006 Elsevier Ltd. All rights reserved.