AC1OEHI3
[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate
Also Known As: AND041|5alpha-androstan-17beta-ol-3-one p-toluenesulphonate|3-Oxo-5alpha-androstan-17beta-yl 4-methylbenzene-1-sulfonate|5.alpha.-Androstan-3-one, 17.beta.-hydroxy-, p-toluenesulfonate|[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate|Androstan-3-one, 17-[[(4-methylphenyl)sulfonyl]oxy]-, (5|A,17|A)-|Androstan-3-one, 17-[[(4-methylphenyl)sulfonyl]oxy]-, (5.alpha.,17.beta.)-
| Molecular Formula | C26H36O4S |
|---|---|
| Molecular Weight | 444.23343 g/mol |
| LogP | 5.68072 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.23343 |
| Monoisotopic Mass | 444.23343 |
| Heavy Atoms | 31 |
| Complexity | 967.62604 |
Chemical Identifiers
| CAS Number | 17291-35-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CCC(=O)C5)C)C |
Product Overview
AC1OEHI3 (CAS 17291-35-9), with molecular formula C26H36O4S and molecular weight 444.23343 g/mol. IUPAC: [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 4-methylbenzenesulfonate.
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