(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-((furan-2-carbonyl)oxy)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioic S-acid

Base Information

• Chemical Name: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-((furan-2-carbonyl)oxy)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioic S-acid
• CAS No.: 397864-40-3
• Molecular Formula: C₂₆H₂₈F₂O₆S
• Molecular Weight: 506.568
• European Community (EC) Number: 842-249-5
• Mol file: 397864-40-3.mol

Synonyms:397864-40-3;(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-((furan-2-carbonyl)oxy)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioic S-acid;SCHEMBL390546;(1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1-(furan-2-carbonyloxy)-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carbothioic S-acid;(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-Difluoro-17-(furan-2-carbonyloxy)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Chemical Property of (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-((furan-2-carbonyl)oxy)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioic S-acid

Chemical Property:

• Melting Point: >154°C (dec.)
• Boiling Point: 622.1±55.0 °C(Predicted)
• Density: 1.38±0.1 g/cm3(Predicted)
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 506.15746611
• Heavy Atom Count: 35
• Complexity: 1040

Purity/Quality:

99% ^*data from raw suppliers

(6α,11β,16α,17α)-6,9-Difluoro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioicAcid(>85%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C5=CC=CO5)C)O)F)C)F
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)S)OC(=O)C5=CC=CO5)C)O)F)C)F
• Uses: (6α,11β,16α,17α)-6,9-Difluoro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic Acid is a steroid used in the preparation of crystalline forms of the therapeutically useful anti-inflammatory corticosteroid fluticasone furoate (I) and its solvates. A fluticasone furoate (F599510) impurity.