[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
[CAS# 68791-47-9]

Identification

• Name: [(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
• Synonyms: 9-fluoro-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate
• Molecular Formula: C₂₅H₃₃FO₆
• Molecular Weight: 448.52
• CAS Registry Number: 68791-47-9
• EINECS: 272-293-5
• SMILES: CCCC(=O)O[C@@]4(CC[C@H]3[C@@H]2CCC1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@@]34C)C(=O)CO
• InChI: 1S/C25H33FO6/c1-4-5-21(31)32-24(20(30)14-27)11-9-17-18-7-6-15-12-16(28)8-10-22(15,2)25(18,26)19(29)13-23(17,24)3/h8,10,12,17-19,27,29H,4-7,9,11,13-14H2,1-3H3/t17-,18-,19-,22-,23-,24-,25-/m0/s1
• InChIKey: JMNCBDUSHPYROE-ZLOBPOPUSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 585.295°C at 760 mmHg (Cal.)
• Flash point: 307.776°C (Cal.)