3-Doxylcholestane
Also Known As: 3-Doxylcholestane|IK-1 Cpd|3-Doxyl-5-alpha-cholestane|3-Doxyl-5-alpha-cholestane, free radical|3-DOXYL-5ALPHA-CHOLESTANE, FREE RADICAL|(5S,10S,13R,17R)-3'-|3-Spiro(2'-(N-oxyl-4,4'-dimethyloxazolidine))cholestane|4,4'-Dimethylspiro(5-cholestane-3,2'-oxazolidin)-3'-oxyl|4',4'-DIMETHYL-SPIRO(5ALPHA-CHOLESTANE-3,2'-OXAZOLIDIN)-3'-YLOXY|Spiro(cholestane-3,2'-oxazolidin)-3'-yloxy, 4',4'-dimethyl-, (5alpha)-
CAS: 18353-76-9
| Molecular Formula | C31H54NO2 |
|---|---|
| Molecular Weight | 472.41547 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 13.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.41547 |
| Monoisotopic Mass | 472.41547 |
| Heavy Atoms | 34 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 18353-76-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC5(C4)N(C(CO5)(C)C)[O])C)C |
| InChIKey | ODDFHESUNMAHDN-MIAPIHAXSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (1 patents)
Product Overview
3-Doxylcholestane (CAS 18353-76-9), with molecular formula C31H54NO2 and molecular weight 472.41547 g/mol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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