9beta,11beta-Epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate

Base Information

• Chemical Name: 9beta,11beta-Epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate
• CAS No.: 6598-95-4
• Molecular Formula: C26H31FO7
• Molecular Weight: 474.5185
• European Community (EC) Number: 229-540-7
• DSSTox Substance ID: DTXSID50984462
• Nikkaji Number: J225.211B
• Mol file: 6598-95-4.mol

Synonyms:6598-95-4;EINECS 229-540-7;[2-[(1S,3S,5S,6S,10R,12S,13S,15S,21S)-15-Fluoro-5,8,8,21-tetramethyl-18-oxo-2,7,9-trioxahexacyclo[11.8.0.01,3.05,12.06,10.016,21]henicosa-16,19-dien-6-yl]-2-oxoethyl] acetate;(6alpha,9beta,11beta,16alpha)-21-(Acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione;9beta,11beta-Epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate;DTXSID50984462;2-(12-Fluoro-4a,6a,8,8-tetramethyl-2-oxo-2,5a,6,6a,9a,10,10a,10b,11,12-decahydro-8H-naphtho[2',1':4,5]oxireno[5,6]indeno[1,2-d][1,3]dioxol-6b(4aH)-yl)-2-oxoethyl acetate;21-(Acetyloxy)-9beta,11beta-epoxy-6alpha-fluoro-16alpha,17-[1-methylethylidenebis(oxy)]pregna-1,4-diene-3,20-dione

Chemical Property of 9beta,11beta-Epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate

Chemical Property:

• Boiling Point: 586.3°Cat760mmHg
• Flash Point: 296.9°C
• PSA: 91.43000
• Density: 1.34g/cm³
• LogP: 3.00600
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 474.20538149
• Heavy Atom Count: 34
• Complexity: 1080

Purity/Quality:

99%, ^*data from raw suppliers

(6α,9β,11β,16α)-21-(Acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C12C(CC3C1(CC4C5(C3CC(C6=CC(=O)C=CC65C)F)O4)C)OC(O2)(C)C
• Isomeric SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@H]4[C@@]5([C@H]3C[C@@H](C6=CC(=O)C=C[C@@]65C)F)O4)C)OC(O2)(C)C
• Uses: (6α,9β,11β,16α)-21-(Acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione is an impurity of Fluocinolone Acetonide (F455800); a glucocorticoid and anti-inflammatory agent.