17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate

Base Information

• Chemical Name: 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate
• CAS No.: 39007-81-3
• Molecular Formula: C37H56 O6
• Molecular Weight: 596.83694
• European Community (EC) Number: 254-246-0
• DSSTox Substance ID: DTXSID00959847
• Nikkaji Number: J319.887A
• Mol file: 39007-81-3.mol

Synonyms:39007-81-3;EINECS 254-246-0;17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate;21-Hexadecanoylprednisone;DTXSID00959847;C37H56O6;C37-H56-O6;17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl hexadecanoate

Chemical Property of 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate

Chemical Property:

• Vapor Pressure: 3.79E-23mmHg at 25°C
• Boiling Point: 707.7°Cat760mmHg
• Flash Point: 211.9°C
• PSA: 97.74000
• Density: 1.11g/cm³
• LogP: 7.79800
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 18
• Exact Mass: 596.40768950
• Heavy Atom Count: 43
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O