1-((3S,5S,8R,9S,10S,13S,14R)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethanone | 566-59-6

• 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: 1-((3S,5S,8R,9S,10S,13S,14R)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethanone
• 英文别名: 1-((8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one；1-[(3S,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone；(3β,5α)-3-Hydroxypregn-16-en-20-one；1-[(3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone；3β-Hydroxy-Δ¹⁶-5α-pregnenon-(20)；3β-Hydroxy-5α-pregnen-(16)-on-(20)；3β-Hydroxy-20-oxo-5α-pregna-16-en；3β-Hydroxy-5α-pregn-16-en-20-on；5α-Pregn-16-en-3β-ol-20-on；Δ¹⁶⁽¹⁷⁾-3β-Hydroxy-5α-pregnen-20-on
• CAS: 566-59-6；566-60-9；566-61-0；21080-60-4；31686-13-2；33465-15-5
• 化学式: C₂₁H₃₂O₂
• 分子量: 316.484
• InChiKey: SFXPZLCQRZASKK-JJIIGDTQSA-N

物化性质

• 熔点：
  219-222 °C
• 沸点：
  443.7±45.0 °C(Predicted)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.52
• 重原子数：
  23.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0