20-Methylcholesterol
(3S,8S,9S,10R,13S,14S,17R)-17-(2,6-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: 20-Methylcholesterol|20-Methylcholesterin|20-Methylcholest-5-en-3-ol|KST-1A7181|(3|A)-20-methylcholest-5-en-3-ol|Cholest-5-en-3-ol, 20-methyl-, (3beta)-|(20xi)-20-Methylcholest-5-en-3beta-ol|(3S,10R,13S,17R)-10,13-Dimethyl-17-(1,1,5-trimethyl-hexyl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol|(3S,8S,9S,10R,13S,14S,17R)-17-(2,6-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 | C28H48O |
|---|---|
| Molecular Weight | 400.3705 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.3705 |
| Monoisotopic Mass | 400.3705 |
| Heavy Atoms | 29 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 6583-87-5 |
|---|---|
| SMILES | CC(C)CCCC(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 |
| InChIKey | CSDUKRUFTFEFBO-XMLICAENSA-N |
Product Overview
20-Methylcholesterol (CAS 6583-87-5), with molecular formula C28H48O and molecular weight 400.3705 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17R)-17-(2,6-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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