9-Fluoro-11beta,21-Dihydroxypregna-1,4,16-Triene-3,20-Dione 21-Acetate
[CAS# 1250-85-7]

Identification

• Name: 9-Fluoro-11beta,21-Dihydroxypregna-1,4,16-Triene-3,20-Dione 21-Acetate
• Synonyms: [2-[(8S,9R,10S,11S,13S,14S)-9-Fluoro-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,11,12,14,15-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(8S,9R,10S,11S,13S,14S)-9-Fluoro-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,11,12,14,15-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(8S,9R,10S,11S,13S,14S)-9-Fluoro-11-Hydroxy-3-Keto-10,13-Dimethyl-7,8,11,12,14,15-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₂₇FO₅
• Molecular Weight: 402.46
• CAS Registry Number: 1250-85-7
• EINECS: 215-006-0
• SMILES: [C@H]23[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@]4([C@H]3CC=C4C(=O)COC(=O)C)C
• InChI: 1S/C23H27FO5/c1-13(25)29-12-19(27)18-7-6-16-17-5-4-14-10-15(26)8-9-22(14,3)23(17,24)20(28)11-21(16,18)2/h7-10,16-17,20,28H,4-6,11-12H2,1-3H3/t16-,17-,20-,21-,22-,23-/m0/s1
• InChIKey: YVPGZUWNVLRAKT-XYNXPQAZSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 550.129°C at 760 mmHg (Cal.)
• Flash point: 286.508°C (Cal.)