2-[(1R,3aS,4S,7aS)-4-[2-(5-羟基-2-甲基苯基)乙基]-7alpha-甲基-5-氧代-2,3,3a,4,6,7-六氢-1H-茚-1-基]丙酸甲酯
[CAS# 103596-05-0]

基本信息

• 产品名称: 2-[(1R,3aS,4S,7aS)-4-[2-(5-羟基-2-甲基苯基)乙基]-7alpha-甲基-5-氧代-2,3,3a,4,6,7-六氢-1H-茚-1-基]丙酸甲酯
• 英文名: Methyl 2-[(1R,3aS,4S,7aS)-4-[2-(5-Hydroxy-2-Methylphenyl)Ethyl]-7alpha-Methyl-5-Oxo-2,3,3a,4,6,7-Hexahydro-1H-Inden-1-Yl]Propanoate
• 别名: Methyl 2-[(1R,3As,4S,7As)-4-[2-(5-Hydroxy-2-Methyl-Phenyl)Ethyl]-7A-Methyl-5-Oxo-2,3,3A,4,6,7-Hexahydro-1H-Inden-1-Yl]Propanoate; 2-[(1R,3As,4S,7As)-4-[2-(5-Hydroxy-2-Methylphenyl)Ethyl]-7A-Methyl-5-Oxo-2,3,3A,4,6,7-Hexahydro-1H-Inden-1-Yl]Propanoic Acid Methyl Ester; 2-[(1R,3As,4S,7As)-4-[2-(5-Hydroxy-2-Methyl-Phenyl)Ethyl]-5-Keto-7A-Methyl-2,3,3A,4,6,7-Hexahydro-1H-Inden-1-Yl]Propionic Acid Methyl Ester
• 分子式: C₂₃H₃₂O₄
• 分子量: 372.50
• CAS 登录号: 103596-05-0
• 分子行输入简码 SMILES: [C@@H]1(CC[C@H]2[C@@H](C(CC[C@]12C)=O)CCC3=CC(=CC=C3C)O)C(C(=O)OC)C
• 国际化学标识码 InChI: 1S/C23H32O4/c1-14-5-7-17(24)13-16(14)6-8-18-20-10-9-19(15(2)22(26)27-4)23(20,3)12-11-21(18)25/h5,7,13,15,18-20,24H,6,8-12H2,1-4H3/t15?,18-,19+,20-,23+/m0/s1
• 国际化学标识检索码 InChIKey: FQTXLEJDKGILIT-HTSURARHSA-N

物理化学性质

• 密度: 1.105g/cm³ （计算值）
• 沸点: 503.886°C at 760 mmHg （计算值）
• 闪点: 167.646°C （计算值）