(4S,5R,6R)-6-Hydroxy-4,5-Dimethyl-2-Oxo-1,4,5,6-Tetrahydropyrrolo[1,5-d][1,4]Oxazocine-9-Carbaldehyde
[CAS# 150036-83-2]

Identification

• Name: (4S,5R,6R)-6-Hydroxy-4,5-Dimethyl-2-Oxo-1,4,5,6-Tetrahydropyrrolo[1,5-d][1,4]Oxazocine-9-Carbaldehyde
• Synonyms: (4S,5R,6R)-6-Hydroxy-4,5-Dimethyl-2-Oxo-1,4,5,6-Tetrahydropyrrolo[1,5-D][1,4]Oxazocine-9-Carboxaldehyde; (4S,5R,6R)-6-Hydroxy-2-Keto-4,5-Dimethyl-1,4,5,6-Tetrahydropyrrolo[1,5-D][1,4]Oxazocine-9-Carbaldehyde
• Molecular Formula: C₁₂H₁₅NO₄
• Molecular Weight: 237.25
• CAS Registry Number: 150036-83-2
• SMILES: [C@H]2(O)C1=CC=C([N]1CC(O[C@H]([C@@H]2C)C)=O)C=O
• InChI: 1S/C12H15NO4/c1-7-8(2)17-11(15)5-13-9(6-14)3-4-10(13)12(7)16/h3-4,6-8,12,16H,5H2,1-2H3/t7-,8-,12+/m0/s1
• InChIKey: BJGONNCLQGPBIC-YVZVNANGSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 485.514°C at 760 mmHg (Cal.)
• Flash point: 247.43°C (Cal.)