Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-11,21-dihydroxy-, (11beta)-

Base Information

• Chemical Name: Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-11,21-dihydroxy-, (11beta)-
• CAS No.: 52628-64-5
• Molecular Formula: C23H30O6
• Molecular Weight: 402.488
• DSSTox Substance ID: DTXSID40967062
• Mol file: 52628-64-5.mol

Synonyms:52628-64-5;Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-11,21-dihydroxy-, (11beta)-;Prednisolone 17-acetate;[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate;SCHEMBL5014907;DTXSID40967062;11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl acetate;(11beta)-17-(Acetyloxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione

Chemical Property of Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-11,21-dihydroxy-, (11beta)-

Chemical Property:

• Boiling Point: 569.7°Cat760mmHg
• Flash Point: 194.3°C
• Density: 1.28g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 402.20423867
• Heavy Atom Count: 29
• Complexity: 827

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)CO
• Isomeric SMILES: CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)CO