(8S,9R,10S,11S,13S,14S,17S)-17-Acetyl-9-Fluoro-11-Hydroxy-10,13-Dimethyl-2,6,7,8,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 339-02-6]

Identification

• Name: (8S,9R,10S,11S,13S,14S,17S)-17-Acetyl-9-Fluoro-11-Hydroxy-10,13-Dimethyl-2,6,7,8,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9R,10S,11S,13S,14S,17S)-17-Ethanoyl-9-Fluoro-11-Hydroxy-10,13-Dimethyl-2,6,7,8,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Nsc16008; 11Beta-Hydroxy-9Alpha-Fluoroprogesterone
• Molecular Formula: C₂₁H₂₉FO₃
• Molecular Weight: 348.46
• CAS Registry Number: 339-02-6
• SMILES: [C@H]23[C@@]([C@@]1(C(=CC(=O)CC1)CC2)C)([C@H](C[C@]4([C@H]3CC[C@@H]4C(C)=O)C)O)F
• InChI: 1S/C21H29FO3/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/h10,15-18,25H,4-9,11H2,1-3H3/t15-,16+,17+,18+,19-,20+,21+/m1/s1
• InChIKey: JSGVCWDJNUVILL-VTZQMFNYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 486.2°C at 760 mmHg (Cal.)
• Flash point: 247.845°C (Cal.)