22-Hydroxy-25-methylcholesterol
(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-hydroxy-6,6-dimethylheptan-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-methylcholesterol|KST-1A8844|SC 31448|25-Methylcholest-5-ene-3,22-diol|(3|A)-25-methylcholest-5-ene-3,22-diol|25-Methylcholest-5-ene-3beta,22-diol|2-(3-methylbutan-2-yl)-9,10-anthraquinone|2-(3-methylbutan-2-yl)anthracene-9,10-dione|Cholest-5-ene-3,22-diol, 25-methyl-, (3beta)-|(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-hydroxy-6,6-dimethylheptan-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 | C28H48O2 |
|---|---|
| Molecular Weight | 416.36542 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.36542 |
| Monoisotopic Mass | 416.36542 |
| Heavy Atoms | 30 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 91007-70-4 |
|---|---|
| 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)C)O |
| InChIKey | SWBPHHNEYRLOHW-GLWMUCOJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
22-Hydroxy-25-methylcholesterol (CAS 91007-70-4), with molecular formula C28H48O2 and molecular weight 416.36542 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-hydroxy-6,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
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