[(2Z,8R,9S,10R,13S,14S,17S)-2-(1-acetyloxy-2,2-difluoroethylidene)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Base Information

• Chemical Name: [(2Z,8R,9S,10R,13S,14S,17S)-2-(1-acetyloxy-2,2-difluoroethylidene)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
• CAS No.: 1993-25-5
• Molecular Formula: C25H32 F2 O5
• Molecular Weight: 450.5154
• NSC Number: 45239
• DSSTox Substance ID: DTXSID20418027
• Wikidata: Q82228299
• Mol file: 1993-25-5.mol

Synonyms:NSC45239;1993-25-5;DTXSID20418027;NSC-45239

Chemical Property of [(2Z,8R,9S,10R,13S,14S,17S)-2-(1-acetyloxy-2,2-difluoroethylidene)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Chemical Property:

• Vapor Pressure: 1.74E-11mmHg at 25°C
• Boiling Point: 534.1°Cat760mmHg
• Flash Point: 266.7°C
• Density: 1.23g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 450.22178044
• Heavy Atom Count: 32
• Complexity: 906

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)C(=C(C(F)F)OC(=O)C)CC34C)C
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)/C(=C(/C(F)F)\OC(=O)C)/C[C@]34C)C