17-Acetyloxy-21-hydroxypregna-1,4-diene-3,20-dione

Base Information

• Chemical Name: 17-Acetyloxy-21-hydroxypregna-1,4-diene-3,20-dione
• CAS No.: 49751-53-3
• Molecular Formula: C23H30O5
• Molecular Weight: 386.4813
• DSSTox Substance ID: DTXSID90964389
• Nikkaji Number: J519.087H
• Mol file: 49751-53-3.mol

Synonyms:11 beta-deoxyprednisolone 17-acetate;17 alpha,21-dihydroxypregna-1,4-diene-3,20-dione 17-acetate;17,21-dihydroxypregna-1,4-diene-3,20-dione 17-acetate;17-acetyloxy-21-hydroxypregna-1,4-diene-3,20-dione;17-AcO-21-OHPDD

Chemical Property of 17-Acetyloxy-21-hydroxypregna-1,4-diene-3,20-dione

Chemical Property:

• Vapor Pressure: 1.75E-13mmHg at 25°C
• Boiling Point: 530.8°Cat760mmHg
• Flash Point: 179.8°C
• PSA: 80.67000
• Density: 1.22g/cm³
• LogP: 3.15760
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 386.20932405
• Heavy Atom Count: 28
• Complexity: 795

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C)C(=O)CO
• Isomeric SMILES: CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)C(=O)CO

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