9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-Hexanoate
[CAS# 56933-61-0]

Identification

• Name: 9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-Hexanoate
• Synonyms: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Hexanoate; Hexanoic Acid [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Hexanoic Acid [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₈H₃₉FO₆
• Molecular Weight: 490.61
• CAS Registry Number: 56933-61-0
• EINECS: 260-452-1
• SMILES: [C@H]34[C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@H](C4)C)C(=O)COC(=O)CCCCC)C
• InChI: 1S/C28H39FO6/c1-5-6-7-8-24(33)35-16-23(32)28(34)17(2)13-21-20-10-9-18-14-19(30)11-12-25(18,3)27(20,29)22(31)15-26(21,28)4/h11-12,14,17,20-22,31,34H,5-10,13,15-16H2,1-4H3/t17-,20-,21-,22-,25-,26-,27-,28-/m0/s1
• InChIKey: KZMKFAJYVZNKJS-DGAWKMIRSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 616.979°C at 760 mmHg (Cal.)
• Flash point: 326.937°C (Cal.)