17-alpha-Acetoxy-6-chloro-2-oxa-4,6-pregnadiene-3,20-dione
[CAS# 105149-00-6]

Identification

• Name: 17-alpha-Acetoxy-6-chloro-2-oxa-4,6-pregnadiene-3,20-dione
• Synonyms: Acetic Acid [(1R,3As,3Br,9Ar,9Bs,11As)-1-Acetyl-5-Chloro-9A,11A-Dimethyl-7-Oxo-2,3,3A,3B,9,9B,10,11-Octahydroindeno[4,5-H]Isochromen-1-Yl] Ester; Acetic Acid [(1R,3As,3Br,9Ar,9Bs,11As)-1-Acetyl-5-Chloro-7-Keto-9A,11A-Dimethyl-2,3,3A,3B,9,9B,10,11-Octahydroindeno[4,5-H]Isochromen-1-Yl] Ester; [(1R,3As,3Br,9Ar,9Bs,11As)-5-Chloro-1-Ethanoyl-9A,11A-Dimethyl-7-Oxo-2,3,3A,3B,9,9B,10,11-Octahydroindeno[4,5-H]Isochromen-1-Yl] Ethanoate
• Molecular Formula: C₂₂H₂₇ClO₅
• Molecular Weight: 406.91
• CAS Registry Number: 105149-00-6
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(OC1)=O)C(=C2)Cl)C)CC[C@@]3([C@](OC(=O)C)(CC4)C(=O)C)C
• InChI: 1S/C22H27ClO5/c1-12(24)22(28-13(2)25)8-6-16-14-9-18(23)17-10-19(26)27-11-20(17,3)15(14)5-7-21(16,22)4/h9-10,14-16H,5-8,11H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1
• InChIKey: KKTIOMQDFOYCEN-OFUYBIASSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 537.842°C at 760 mmHg (Cal.)
• Flash point: 188.214°C (Cal.)