苯基 (2R,4aS,5R,8aS)-5-乙烯基-4alpha-羟基-4-氧代-2-丙基-3,5,6,7,8,8a-六氢-2H-喹啉-1-羧酸酯
[CAS# 156340-45-3]

基本信息

• 产品名称: 苯基 (2R,4aS,5R,8aS)-5-乙烯基-4alpha-羟基-4-氧代-2-丙基-3,5,6,7,8,8a-六氢-2H-喹啉-1-羧酸酯
• 英文名: Phenyl (2R,4aS,5R,8aS)-5-Ethenyl-4alpha-Hydroxy-4-Oxo-2-Propyl-3,5,6,7,8,8a-Hexahydro-2H-Quinoline-1-Carboxylate
• 别名: Phenyl (2R,4As,5R,8As)-4A-Hydroxy-4-Oxo-2-Propyl-5-Vinyl-3,5,6,7,8,8A-Hexahydro-2H-Quinoline-1-Carboxylate; (2R,4As,5R,8As)-4A-Hydroxy-4-Oxo-2-Propyl-5-Vinyl-3,5,6,7,8,8A-Hexahydro-2H-Quinoline-1-Carboxylic Acid Phenyl Ester; (2R,4As,5R,8As)-4A-Hydroxy-4-Keto-2-Propyl-5-Vinyl-3,5,6,7,8,8A-Hexahydro-2H-Quinoline-1-Carboxylic Acid Phenyl Ester
• 分子式: C₂₁H₂₇NO₄
• 分子量: 357.45
• CAS 登录号: 156340-45-3
• 分子行输入简码 SMILES: [C@@H]1(N([C@@H]2[C@](C(C1)=O)([C@H](CCC2)C=C)O)C(=O)OC3=CC=CC=C3)CCC
• 国际化学标识码 InChI: 1S/C21H27NO4/c1-3-9-16-14-19(23)21(25)15(4-2)10-8-13-18(21)22(16)20(24)26-17-11-6-5-7-12-17/h4-7,11-12,15-16,18,25H,2-3,8-10,13-14H2,1H3/t15-,16+,18-,21-/m0/s1
• 国际化学标识检索码 InChIKey: AMHBGRQWIJZDEB-HPNQWNLUSA-N

物理化学性质

• 密度: 1.208g/cm³ （计算值）
• 沸点: 484.972°C at 760 mmHg （计算值）
• 闪点: 247.103°C （计算值）