(6S,8S,9S,10R,13R,14S,17S)-17-Acetyl-6-Fluoro-10,13-Dimethyl-2,6,7,8,9,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthrene-3,11-Dione
[CAS# 433-86-3]

Identification

• Name: (6S,8S,9S,10R,13R,14S,17S)-17-Acetyl-6-Fluoro-10,13-Dimethyl-2,6,7,8,9,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthrene-3,11-Dione
• Synonyms: (6S,8S,9S,10R,13S,14S,17S)-17-Acetyl-6-Fluoro-10,13-Dimethyl-2,6,7,8,9,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Quinone; (6S,8S,9S,10R,13S,14S,17S)-17-Ethanoyl-6-Fluoro-10,13-Dimethyl-2,6,7,8,9,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Dione; Nsc59615
• Molecular Formula: C₂₁H₂₇FO₃
• Molecular Weight: 346.44
• CAS Registry Number: 433-86-3
• SMILES: [C@H]1(C(C)=O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]3[C@H]2C[C@H](F)C4=CC(=O)CC[C@]34C
• InChI: 1S/C21H27FO3/c1-11(23)14-4-5-15-13-9-17(22)16-8-12(24)6-7-20(16,2)19(13)18(25)10-21(14,15)3/h8,13-15,17,19H,4-7,9-10H2,1-3H3/t13-,14+,15-,17-,19+,20-,21+/m0/s1
• InChIKey: YPUQOVRDUFZIKX-CQMXKPHISA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 489.546°C at 760 mmHg (Cal.)
• Flash point: 183.421°C (Cal.)