25-Hydroxycholesteryl oleate
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
Also Known As: 25-Hydroxycholesteryl oleate|25-Ohco|Cholest-5-ene-3,25-diol, 3-(9-octadecenoate), (3beta(Z))-|[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
| Molecular Formula | C45H78O3 |
|---|---|
| Molecular Weight | 666.5951 g/mol |
| LogP | 13.092 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 666.5951 |
| Monoisotopic Mass | 666.5951 |
| Heavy Atoms | 48 |
| Complexity | 1019.73584 |
Chemical Identifiers
| CAS Number | 68947-34-2 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=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)O)C)C |
Product Overview
25-Hydroxycholesteryl oleate (CAS 68947-34-2), with molecular formula C45H78O3 and molecular weight 666.5951 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate.
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