5alpha,6alpha-Epoxy-3beta,17-dihydroxy-16alpha-methylpregnan-20-one 3-acetate
[(1S,2R,5S,11R,12S,14R,15R,16S)-15-acetyl-15-hydroxy-2,14,16-trimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate
Also Known As: EINECS 220-671-5|5alpha,6alpha-Epoxy-3beta,17-dihydroxy-16alpha-methylpregnan-20-one 3-acetate|17-Hydroxy-16-methyl-20-oxo-5,6-epoxypregnan-3-yl acetate|17-Hydroxy-16alpha-methyl-20-oxo-5,6-epoxypregnan-3beta-yl acetate|Pregnan-20-one, 3-(acetyloxy)-5,6-epoxy-17-hydroxy-16-methyl-, (3.beta.,5.alpha.,6.alpha.,16.alpha.)-
| Molecular Formula | C24H36O5 |
|---|---|
| Molecular Weight | 404.2563 g/mol |
| LogP | 3.6582 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.2563 |
| Monoisotopic Mass | 404.2563 |
| Heavy Atoms | 29 |
| Complexity | 764.37 |
Chemical Identifiers
| CAS Number | 2857-83-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC4C5(O4)C[C@H](CC[C@@]5([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)OC(=O)C |
Product Overview
5alpha,6alpha-Epoxy-3beta,17-dihydroxy-16alpha-methylpregnan-20-one 3-acetate (CAS 2857-83-2), with molecular formula C24H36O5 and molecular weight 404.2563 g/mol. IUPAC: [(1S,2R,5S,11R,12S,14R,15R,16S)-15-acetyl-15-hydroxy-2,14,16-trimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate.