27-Norcholestanehexol

Base Information

• Chemical Name: 27-Norcholestanehexol
• CAS No.: 91999-66-5
• Molecular Formula: C26H46 O6
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID901205721
• Metabolomics Workbench ID: 36682
• Mol file: 91999-66-5.mol

Synonyms:27-N-5-CH;27-nor-5beta-cholestane- 3alpha,7alpha,12alpha,24alpha,24xi,25xi,26-hexol;27-norcholestane-3,7,12,24,25,26-hexol

Chemical Property of 27-Norcholestanehexol

Chemical Property:

• Vapor Pressure: 8.21E-20mmHg at 25°C
• Boiling Point: 652.9°Cat760mmHg
• Flash Point: 280.7°C
• Density: 1.207g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 454.32943918
• Heavy Atom Count: 32
• Complexity: 658

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(C(CO)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
• Isomeric SMILES: C[C@H](CCC(C(CO)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C