18-Hydroxy-11-deoxycortisol

Base Information

• Chemical Name: 18-Hydroxy-11-deoxycortisol
• CAS No.: 35121-42-7
• Molecular Formula: C21H30 O5
• Molecular Weight: 362.46
• DSSTox Substance ID: DTXSID80956556
• Nikkaji Number: J460.222F
• Wikidata: Q82936634
• Mol file: 35121-42-7.mol

Synonyms:18-hydroxy-11-deoxycortisol

Chemical Property of 18-Hydroxy-11-deoxycortisol

Chemical Property:

• Vapor Pressure: 1.65E-15mmHg at 25°C
• Boiling Point: 572.9°Cat760mmHg
• Flash Point: 314.3°C
• PSA: 94.83000
• Density: 1.29g/cm³
• LogP: 1.78320
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 362.20932405
• Heavy Atom Count: 26
• Complexity: 669

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)CO
• Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)CO

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