(6S,8S,9R,10S,11S,13S,14S,17S)-17-Acetyl-9-Fluoro-11-Hydroxy-6,10,13-Trimethyl-2,6,7,8,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 378-38-1]

Identification

• Name: (6S,8S,9R,10S,11S,13S,14S,17S)-17-Acetyl-9-Fluoro-11-Hydroxy-6,10,13-Trimethyl-2,6,7,8,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (6S,8S,9R,10S,11S,13S,14S,17S)-17-Ethanoyl-9-Fluoro-11-Hydroxy-6,10,13-Trimethyl-2,6,7,8,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Fda 0094; Nsc72826
• Molecular Formula: C₂₂H₃₁FO₃
• Molecular Weight: 362.48
• CAS Registry Number: 378-38-1
• EINECS: 206-824-9
• SMILES: [C@H]1(C(=O)C)CC[C@@H]3[C@@]1(C[C@@H]([C@]4(F)[C@]2(C)C(=CC(CC2)=O)[C@H](C[C@@H]34)C)O)C
• InChI: 1S/C22H31FO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h10,12,15-16,18-19,26H,5-9,11H2,1-4H3/t12-,15+,16-,18-,19-,20+,21-,22-/m0/s1
• InChIKey: RWGSFMGQJFCHTC-ORKYMPNQSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 491.263°C at 760 mmHg (Cal.)
• Flash point: 250.907°C (Cal.)