(8S,13S,14S,17S)-17-[(2R)-2-Fluoropropanoyl]-13,17-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
[CAS# 128855-74-3]

Identification

• Name: (8S,13S,14S,17S)-17-[(2R)-2-Fluoropropanoyl]-13,17-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,13S,14S,17S)-17-[(2R)-2-Fluoro-1-Oxopropyl]-13,17-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; (17Beta(S))-17-(2-Fluoro-1-Oxopropyl)-17-Methylestra-4,9-Dien-3-One; 21(R)-Fluoro-R5020
• Molecular Formula: C₂₂H₂₉FO₂
• Molecular Weight: 344.47
• CAS Registry Number: 128855-74-3
• SMILES: [C@H]13[C@@]([C@](CC1)(C(=O)[C@H](F)C)C)(CCC4=C2C(=CC(=O)CC2)CC[C@@H]34)C
• InChI: 1S/C22H29FO2/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19H,4-11H2,1-3H3/t13-,18-,19+,21+,22-/m1/s1
• InChIKey: AQJLFHHHAYTPCE-PWGGLJECSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 495.168°C at 760 mmHg (Cal.)
• Flash point: 185.311°C (Cal.)