(6S,8S,9S,10R,11R,13S,14S,17S)-17-acetyl-6-fluoro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Base Information

• Chemical Name: (6S,8S,9S,10R,11R,13S,14S,17S)-17-acetyl-6-fluoro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS No.: 1474-59-5
• Molecular Formula: C21H29 F O3
• Molecular Weight: 348.4516
• NSC Number: 77899
• DSSTox Substance ID: DTXSID50933117
• Wikidata: Q82908917
• Mol file: 1474-59-5.mol

Synonyms:1474-59-5;NSC77899;DTXSID50933117;NSC-77899;6-fluoro-11-hydroxypregn-4-ene-3,20-dione

Chemical Property of (6S,8S,9S,10R,11R,13S,14S,17S)-17-acetyl-6-fluoro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Chemical Property:

• Vapor Pressure: 1.24E-11mmHg at 25°C
• Boiling Point: 489.4°Cat760mmHg
• Flash Point: 249.8°C
• Density: 1.19g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 348.21007294
• Heavy Atom Count: 25
• Complexity: 656

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCC2C1(CC(C3C2CC(C4=CC(=O)CCC34C)F)O)C
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)F)O)C