Phenyl (2R,4aS,5R,8aS)-5-Ethenyl-4alpha-Hydroxy-4-Oxo-2-Propyl-3,5,6,7,8,8a-Hexahydro-2H-Quinoline-1-Carboxylate
[CAS# 156340-45-3]

Identification

• Name: Phenyl (2R,4aS,5R,8aS)-5-Ethenyl-4alpha-Hydroxy-4-Oxo-2-Propyl-3,5,6,7,8,8a-Hexahydro-2H-Quinoline-1-Carboxylate
• Synonyms: 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
• Molecular Formula: C₂₁H₂₇NO₄
• Molecular Weight: 357.45
• CAS Registry Number: 156340-45-3
• 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
• 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
• InChIKey: AMHBGRQWIJZDEB-HPNQWNLUSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 484.972°C at 760 mmHg (Cal.)
• Flash point: 247.103°C (Cal.)