(11b)-9-Fluoro-11,17,21-trihydroxy-16-methylene-Pregna-1,4-diene-3,20-dione
[CAS# 2193-87-5]

Identification

• Name: (11b)-9-Fluoro-11,17,21-trihydroxy-16-methylene-Pregna-1,4-diene-3,20-dione
• Synonyms: (8S,9R,10S,13S,14S,17R)-9-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-16-Methylene-7,8,11,12,14,15-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-One; (8S,9R,10S,13S,14S,17R)-9-Fluoro-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-16-Methylene-7,8,11,12,14,15-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-One; (8S,9R,10S,13S,14S,17R)-9-Fluoro-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-16-Methylene-7,8,11,12,14,15-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₂H₂₇FO₅
• Molecular Weight: 390.45
• CAS Registry Number: 2193-87-5
• EINECS: 218-591-0
• SMILES: [C@]34([C@H]([C@H]2[C@@]([C@@]1(C(=CC(C=C1)=O)CC2)C)(C(C3)O)F)CC([C@@]4(C(=O)CO)O)=C)C
• InChI: 1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17?,19-,20-,21-,22-/m0/s1
• InChIKey: YVHXHNGGPURVOS-HAFRAUPKSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 577.312°C at 760 mmHg (Cal.)
• Flash point: 302.948°C (Cal.)