14-Hydroxypregna-1,4-diene-3,20-dione

Base Information

• Chemical Name: 14-Hydroxypregna-1,4-diene-3,20-dione
• CAS No.: 97055-11-3
• Molecular Formula: C21H28 O3
• Molecular Weight: 328.45
• DSSTox Substance ID: DTXSID80914196
• Wikidata: Q82884964
• Mol file: 97055-11-3.mol

Synonyms:14-hydroxypregna-1,4-diene-3,20-dione;14-OH-PDD

Chemical Property of 14-Hydroxypregna-1,4-diene-3,20-dione

Chemical Property:

• Vapor Pressure: 2.14E-11mmHg at 25°C
• Boiling Point: 483.9°Cat760mmHg
• Flash Point: 260.6°C
• PSA: 54.37000
• Density: 1.17g/cm³
• LogP: 3.61440
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 328.20384475
• Heavy Atom Count: 24
• Complexity: 675

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1CCC2(C1(CCC3C2CCC4=CC(=O)C=CC34C)C)O
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O