22-Hydroxy-25-fluorocholesterol
(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-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-ol
Also Known As: 22-Hydroxy-25-fluorocholesterol|SC 32561|25-Fluorocholest-5-ene-3,22-diol|25-Fluorocholest-5-ene-3beta,22-diol|Cholest-5-ene-3,22-diol, 25-fluoro-, (3beta)-|Cholest-5-ene-3,22-diol,25-fluoro-, (3b)-(9CI)|(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-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-ol
| Molecular Formula | C27H45FO2 |
|---|---|
| Molecular Weight | 420.34036 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.34036 |
| Monoisotopic Mass | 420.34036 |
| Heavy Atoms | 30 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 76752-41-5 |
|---|---|
| SMILES | C[C@@H]([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)C(CCC(C)(C)F)O |
| InChIKey | HAAJKVUMSLGIDT-LOUMIQLRSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
22-Hydroxy-25-fluorocholesterol (CAS 76752-41-5), with molecular formula C27H45FO2 and molecular weight 420.34036 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-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-ol.