9-Bromo-Pregn-4-ene-3,11,20-trione
[CAS# 2527-11-9]

Identification

• Name: 9-Bromo-Pregn-4-ene-3,11,20-trione
• Synonyms: (8S,9R,10S,13S,14S,17S)-17-Acetyl-9-Bromo-10,13-Dimethyl-1,2,6,7,8,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3,11-Quinone; (8S,9R,10S,13S,14S,17S)-9-Bromo-17-Ethanoyl-10,13-Dimethyl-1,2,6,7,8,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3,11-Dione; Braxorone
• Molecular Formula: C₂₁H₂₇BrO₃
• Molecular Weight: 407.35
• CAS Registry Number: 2527-11-9
• SMILES: [C@H]23[C@@]([C@@]1(C(=CC(=O)CC1)CC2)C)(C(C[C@]4([C@H]3CC[C@@H]4C(C)=O)C)=O)Br
• InChI: 1S/C21H27BrO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h10,15-17H,4-9,11H2,1-3H3/t15-,16+,17+,19-,20+,21+/m1/s1
• InChIKey: NWFOHSCPTMLQIH-GHMDXEKNSA-N

Properties

• Density: 1.363g/cm³ (Cal.)
• Boiling point: 517.281°C at 760 mmHg (Cal.)
• Flash point: 102.404°C (Cal.)