Pregnenolon-acetat-thioketal
(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 4-methylbenzenesulfonate
Also Known As: Pregnenolon-acetat-thioketal|20-oxopregn-5-en-3-yl 4-methylbenzenesulfonate|20-Oxopregn-5-en-3-yl 4-methylbenzene-1-sulfonate|(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 4-methylbenzenesulfonate|1-[10,13-dimethyl-3-(4-methylphenyl)sulfonyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
| Molecular Formula | C28H38O4S |
|---|---|
| Molecular Weight | 470.24908 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.24908 |
| Monoisotopic Mass | 470.24908 |
| Heavy Atoms | 33 |
| Complexity | 909.0 |
Chemical Identifiers
| CAS Number | 692-93-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(=O)C)C)C |
| InChIKey | MOQRKBVEMYSZBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregnenolon-acetat-thioketal (CAS 692-93-3), with molecular formula C28H38O4S and molecular weight 470.24908 g/mol. IUPAC: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 4-methylbenzenesulfonate.