[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-oxopropanoate

• 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,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-oxopropanoate
• 化学式: C₂₂H₃₀O₄
• 分子量: 358.5
• InChiKey: BNDVVAZSCFNBKU-CSOYKPOESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] DEHYDROEPIANDROSTERONE DERIVATIVES FOR PROPHYLAXIS AND TREATMENT OF OSTEOPOROSIS<br/>[FR] DERIVES DE DEHYDROEPIANDROSTERONE POUR PREVENIR ET TRAITER L'OSTEOPOROSE
  申请人：METABOLIC ENGINEERING LAB CO L

  公开号：WO2000005242A1

  公开（公告）日：2000-02-03

  Disclosed are novel dihydroepiandrosterone derivatives, preparation methods thereof, and prophylactic and curing agents against osteoporosis. The novel dihydroepiandrosterone derivatives, represented by formula (I), are prepared by bonding L-aspartate, L-asparagine or pyruvate to dihydroepiandrosterone via an ester linkage at the position 3 of dihydroepiandrosterone. The novel compounds have potent anti-osteoporosis activity with a suppression against side effects, such as liver enlargement, so that they can be used as agents for the prophylaxis and treatment of osteoporosis, applicable for clinical practice, wherein R is L-aspartate, L-asparagine or pyruvate.