(5S,8S,9R,10S,13S,14S,17S)-9-Fluoro-17-Hydroxy-10,13,17-Trimethyl-2,4,5,6,7,8,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-3,11-Dione
[CAS# 59981-94-1]

Identification

• Name: (5S,8S,9R,10S,13S,14S,17S)-9-Fluoro-17-Hydroxy-10,13,17-Trimethyl-2,4,5,6,7,8,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-3,11-Dione
• Synonyms: (5S,8S,9R,10S,13S,14S,17S)-9-Fluoro-17-Hydroxy-10,13,17-Trimethyl-2,4,5,6,7,8,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Quinone; Nsc38271; Zinc04026314
• Molecular Formula: C₂₀H₂₉FO₃
• Molecular Weight: 336.45
• CAS Registry Number: 59981-94-1
• SMILES: [C@@]2([C@]1(CC(=O)[C@@]3(F)[C@H]([C@@H]1CC2)CC[C@H]4CC(=O)CC[C@]34C)C)(O)C
• InChI: 1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12,14-15,24H,4-11H2,1-3H3/t12-,14-,15-,17-,18-,19-,20-/m0/s1
• InChIKey: JCWFUXZGBIJXTA-VIIFRJDQSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 447.06°C at 760 mmHg (Cal.)
• Flash point: 224.174°C (Cal.)