[(1R,3aS,3bR,9aR,9bS,11aS)-1-Acetyl-5-Chloro-9A,11alpha-Dimethyl-7-Oxo-3,3a,3b,8,9,9B,10,11-Octahydro-2H-Indeno[4,5-h]Isoquinolin-1-Yl] Acetate
[CAS# 105165-23-9]

Identification

• Name: [(1R,3aS,3bR,9aR,9bS,11aS)-1-Acetyl-5-Chloro-9A,11alpha-Dimethyl-7-Oxo-3,3a,3b,8,9,9B,10,11-Octahydro-2H-Indeno[4,5-h]Isoquinolin-1-Yl] Acetate
• Synonyms: Acetic Acid [(1R,3As,3Br,9Ar,9Bs,11As)-1-Acetyl-5-Chloro-9A,11A-Dimethyl-7-Oxo-3,3A,3B,8,9,9B,10,11-Octahydro-2H-Indeno[4,5-H]Isoquinolin-1-Yl] Ester; Acetic Acid [(1R,3As,3Br,9Ar,9Bs,11As)-1-Acetyl-5-Chloro-7-Keto-9A,11A-Dimethyl-3,3A,3B,8,9,9B,10,11-Octahydro-2H-Indeno[4,5-H]Isoquinolin-1-Yl] Ester; [(1R,3As,3Br,9Ar,9Bs,11As)-5-Chloro-1-Ethanoyl-9A,11A-Dimethyl-7-Oxo-3,3A,3B,8,9,9B,10,11-Octahydro-2H-Indeno[4,5-H]Isoquinolin-1-Yl] Ethanoate
• Molecular Formula: C₂₂H₂₈ClNO₄
• Molecular Weight: 405.92
• CAS Registry Number: 105165-23-9
• SMILES: [C@@]14([C@@H](CC[C@@]1(C(C)=O)OC(C)=O)[C@@H]3C=C(C2=CC(NC[C@@]2([C@H]3CC4)C)=O)Cl)C
• InChI: 1S/C22H28ClNO4/c1-12(25)22(28-13(2)26)8-6-16-14-9-18(23)17-10-19(27)24-11-20(17,3)15(14)5-7-21(16,22)4/h9-10,14-16H,5-8,11H2,1-4H3,(H,24,27)/t14-,15+,16+,20-,21+,22+/m1/s1
• InChIKey: OOHUAUAZGBDNEC-OFUYBIASSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 560.222°C at 760 mmHg (Cal.)
• Flash point: 292.612°C (Cal.)