(8S,10S,13S,14S,17S)-9-fluoro-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Base Information

• Chemical Name: (8S,10S,13S,14S,17S)-9-fluoro-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
• CAS No.: 3820-06-2
• Molecular Formula: C21H29 F O3
• Molecular Weight: 348.4515632
• DSSTox Substance ID: DTXSID30959153
• Mol file: 3820-06-2.mol

Synonyms:9-Fluoro-21-hydroxypregn-4-ene-3,20-dione;DTXSID30959153;(8S,10S,13S,14S,17S)-9-fluoro-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Chemical Property of (8S,10S,13S,14S,17S)-9-fluoro-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Chemical Property:

• Vapor Pressure: 1.61E-11mmHg at 25°C
• Boiling Point: 486.8°Cat760mmHg
• Flash Point: 248.2°C
• PSA: 54.37000
• Density: 1.19g/cm³
• LogP: 3.78800
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 348.21007294
• Heavy Atom Count: 25
• Complexity: 656

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3(C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC43C)F
• Isomeric SMILES: C[C@]12CCC3([C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@@]43C)F