9-Fluoro-11beta-hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

Base Information

• Chemical Name: 9-Fluoro-11beta-hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
• CAS No.: 1895-19-8
• Molecular Formula: C22H29 F O3
• Molecular Weight: 360.4622632
• European Community (EC) Number: 217-583-4
• DSSTox Substance ID: DTXSID70940464
• Nikkaji Number: J199.721A
• Wikidata: Q82917119
• Mol file: 1895-19-8.mol

Synonyms:1895-19-8;9-Fluoro-11beta-hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione;EINECS 217-583-4;(6S,8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one;C22H29FO3;DTXSID70940464;C22-H29-F-O3;9-Fluoro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione

Chemical Property of 9-Fluoro-11beta-hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

Chemical Property:

• Boiling Point: 491.8°Cat760mmHg
• Flash Point: 251.2°C
• PSA: 0.00000
• Density: 1.19g/cm³
• LogP: 0.00000
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 360.21007294
• Heavy Atom Count: 26
• Complexity: 740

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)C(=O)C
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)C(=O)C