Cholesteryl stearate
[(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] octadecanoate
Also Known As: Cholesteryl stearate|Cholesterol stearate|Cholestryl stearate|Cholesteryl octadecanoate|18:0 Cholesteryl ester|Cholesterol, stearate|Cholesterol=stearate|NIKKOL CS|Cholesterol 3-stearate|Cholestryl stearic acid|Cholesterol stearic acid|Stearic acid cholesteryl|cholest-5-en-3beta-yl octadecanoate|CE(18:0)|Cholest-5-en-3-beta-yl stearate|cholest-5-en-3beta-yl stearate|bmse000849|Cholest-5-en-3-ol-, octadecanoate|Cholesteryl stearate, 96%|5-Cholesten-3.beta.-ol stearate|Cholesteryl octadecanoic acid|cc-377|Cholest-5-en-3b-yl stearate|Stearic Acid Cholesterol Ester|3beta-octadecanoyloxycholest-5-ene|Cholest-5-en-3-b-yl stearate|3b-Octadecanoyloxycholest-5-ene|CHOLESTERYL STEARATE 1GM|CHOLESTERYL STEARATE 5GM|Cholest-5-en-3beta-ol stearate|EINECS 252-637-0|5-cholesten-3beta-yloctadecanoate|CHOLESTERYL STEARATE 25GM|Cholest-5-en-3b-yl octadecanoate|Cholest-5-en-3b-yl stearic acid
| Molecular Formula | C45H80O2 |
|---|---|
| Molecular Weight | 652.61584 g/mol |
| LogP | 14.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 652.61584 |
| Heavy Atoms | 47 |
| Complexity | 934.3 |
Chemical Identifiers
| CAS Number | 35602-69-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=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
Cholesteryl stearate (CAS 35602-69-8), with molecular formula C45H80O2 and molecular weight 652.61584 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] octadecanoate.
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