(S)-2-Methyl-butyric acid (1S,3R,7S,8S,8AR)-8-{2-[(2S,4R)-4-hydroxy-1-(5-hydroxymethyl-6-methoxy-naphthalen-2-ylmethyl)-6-oxo-piperidin-2-yl]-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester | 288324-06-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (S)-2-Methyl-butyric acid (1S,3R,7S,8S,8AR)-8-{2-[(2S,4R)-4-hydroxy-1-(5-hydroxymethyl-6-methoxy-naphthalen-2-ylmethyl)-6-oxo-piperidin-2-yl]-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester
• 英文别名: (S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[(2S,4R)-4-hydroxy-1-(5-hydroxymethyl-6-methoxy-naphthalen-2-ylmethyl)-6-oxo-piperdin-2-yl]-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester；8-[2-((2S)-4-Hydroxy-1-{[5-(hydroxymethyl)-6-methoxy-2-naphthyl]methyl}-6-oxopiperidin-2-YL)ethyl]-3,7-dimethyl-1,2,3,7,8,8A-hexahydronaphthalen-1-YL 2-methylbutanoate；[(1S,3R,7S,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-1-[[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methyl]-6-oxopiperidin-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
• CAS: 288324-06-1
• 化学式: C₃₇H₄₉NO₆
• 分子量: 603.799
• InChiKey: WPVRNXUYVXQXPY-YFAYRSKXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  96.3
• 氢给体数：
  2
• 氢受体数：
  6