(3β,5α,20S,22R)-4,4-dimethylcholesta-8,14-diene-3,22-diol 3-benzoate | 292601-78-6

• 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: (3β,5α,20S,22R)-4,4-dimethylcholesta-8,14-diene-3,22-diol 3-benzoate
• 英文别名: [(3S,5R,10S,13R,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
• CAS: 292601-78-6
• 化学式: C₃₆H₅₂O₃
• 分子量: 532.807
• InChiKey: LBQAEHKKQBMBFQ-JWVOHXPGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 22R-HYDROXYCHOLESTA-8,14-DIENE DERIVATIVES FOR THE INHIBITION OF MEIOSIS
  申请人：Akzo Nobel N.V.

  公开号：EP1163258A1

  公开（公告）日：2001-12-19
• US6518262B1
  申请人：——

  公开号：US6518262B1

  公开（公告）日：2003-02-11
• [EN] 22R-HYDROXYCHOLESTA-8,14-DIENE DERIVATIVES FOR THE INHIBITION OF MEIOSIS<br/>[FR] DERIVES DE 22R-HYDROXYCHOLESTA-8,14-DIENE A ACTIVITE D'INHIBITION DE LA MEIOSE
  申请人：AKZO NOBEL NV

  公开号：WO2000053618A1

  公开（公告）日：2000-09-14

  The invention relates to 22R-hydroxycholesta-8,14-diene derivatives having general formula (I) wherein R1 is OR, OSO3H or =NOR; with R being H, (C1-6)alkyl or (C1-6)acyl; each of R2 and R3 is independently hydrogen or (C1-6)alkyl; R4 is hydrogen, (C1-6)alkyl or (C1-6)acyl; R5 is hydrogen; or R5 designates, together with R6, an additional bond between the carbon atoms at which R5 and R6 are placed; R6 is hydrogen, hydroxy or halogen; or R6 designates, together with R5, an additional bond between the carbon atoms at which R6 and R5 are placed; each of R7 and R8 is independently hydrogen or (C1-4)alkyl, optionally substituted with OH, (C1-4)alkoxy, or halogen; or a pharmaceutically acceptable salt thereof. The compounds of the invention have meiosis inhibiting activity and can be used for the control of fertility.