(6a)-17-(Acetyloxy)-6-chloro-Pregn-4-ene-3,20-dione
[CAS# 2477-73-8]

Identification

• Name: (6a)-17-(Acetyloxy)-6-chloro-Pregn-4-ene-3,20-dione
• Synonyms: Acetic Acid [(6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(6S,8R,9S,10R,13S,14S,17R)-6-Chloro-17-Ethanoyl-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₃H₃₁ClO₄
• Molecular Weight: 406.95
• CAS Registry Number: 2477-73-8
• SMILES: [C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)[C@H](C2)Cl)C)CC3)CC4)C)(OC(C)=O)C(C)=O
• InChI: 1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1
• InChIKey: DCVGANSDLNPXGO-WXLIAARGSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 519.252°C at 760 mmHg (Cal.)
• Flash point: 173.982°C (Cal.)