22-Hydroxycholest-4-en-3-one

Base Information

• Chemical Name: 22-Hydroxycholest-4-en-3-one
• CAS No.: 60881-76-7
• Molecular Formula: C27H44 O2
• Molecular Weight: 400.64
• DSSTox Substance ID: DTXSID60976358
• Nikkaji Number: J353.581I
• Wikidata: Q82961225
• Mol file: 60881-76-7.mol

Synonyms:22-hydroxycholest-4-en-3-one;22R-hydroxycholest-4-en-3-one

Chemical Property of 22-Hydroxycholest-4-en-3-one

Chemical Property:

• Vapor Pressure: 8.55E-13mmHg at 25°C
• Boiling Point: 515.8°C at 760 mmHg
• Flash Point: 218.1°C
• PSA: 37.30000
• Density: 1.03g/cm³
• LogP: 6.56770
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 400.334130642
• Heavy Atom Count: 29
• Complexity: 663

Purity/Quality:

99% ^*data from raw suppliers

22-Hydroxycholest-4-en-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCC(C(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)[C@@H](CCC(C)C)O
• Uses: 22-Hydroxycholest-4-en-3-one was found in brain of Cyp46a1-/- mouse, indicating that this oxysterol promoted dopaminergic neurogenesis.