20-Hydroperoxycholesterol
(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroperoxy-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-ol
Also Known As: 20-Hydroperoxycholesterol|APBO|Cholesterol-20-hydroperoxide|20alpha-Hydroperixycholesterol|20-hydroperoxycholest-5-en-3beta-ol|20-Hydroperoxycholest-5-en-3-ol|20.ALPHA.-HYDROPEROXYCHOLESTEROL|Cholest-5-en-3-ol, 20-hydroperoxy-, (3beta)-|CHOLESTEROL 20.ALPHA.-HYDROPEROXIDE|(3.BETA.)-20-HYDROPEROXYCHOLEST-5-EN-3-OL|CHOLEST-5-EN-3-OL, 20-HYDROPEROXY-, (3.BETA.)-|3.BETA.-HYDROXYCHOLEST-5-ENE 20.ALPHA.-HYDROPEROXIDE|CHOLEST-5-EN-3.BETA.-OL, 20-HYDROPEROXY-, (20S)-|(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(2S)-2-hydroperoxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroperoxy-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-ol
| Molecular Formula | C27H46O3 |
|---|---|
| Molecular Weight | 418.3447 g/mol |
| LogP | 7.0009 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.3447 |
| Monoisotopic Mass | 418.3447 |
| Heavy Atoms | 30 |
| Complexity | 656.4936 |
Chemical Identifiers
| CAS Number | 23653-01-2 |
|---|---|
| SMILES | CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)OO |
Product Overview
20-Hydroperoxycholesterol (CAS 23653-01-2), with molecular formula C27H46O3 and molecular weight 418.3447 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroperoxy-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-ol.