3-cholesteryl N-butylcarbamate
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-butylcarbamate
Also Known As: 3-Cnbc|3-Cholesteryl N-butylcarbamate|3-cholesterylN-butylcarbamate|Cholest-5-en-3-ol (3beta)-, butylcarbamate|Cholest-5-en-3-yl hydrogen butylcarbonimidate|Cholest-5-en-3beta-yl hydrogen butylcarbonimidate|[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-butylcarbamate
| Molecular Formula | C32H55NO2 |
|---|---|
| Molecular Weight | 485.42328 g/mol |
| LogP | 8.9227 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.42328 |
| Monoisotopic Mass | 485.42328 |
| Heavy Atoms | 35 |
| Complexity | 758.6622 |
Chemical Identifiers
| CAS Number | 52829-26-2 |
|---|---|
| SMILES | CCCCNC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
Product Overview
3-cholesteryl N-butylcarbamate (CAS 52829-26-2), with molecular formula C32H55NO2 and molecular weight 485.42328 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-butylcarbamate.