20-Oxopregn-5-ene-3,17-diyl diacetate
(17-acetyl-17-acetyloxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate
Also Known As: 20-oxopregn-5-ene-3,17-diyl diacetate|EINECS 222-524-0|17ALPHA-HYDROXYPREGNENOLONE-3,17-DIACETATE|3beta,17-Dihydroxypregn-5-en-20-one 3,17-di(acetate)|Pregn-5-en-20-one,17-bis(acetyloxy)-, (3.beta.)-|Pregn-5-en-20-one, 3,17-bis(acetyloxy)-, (3.beta.)-|(17-acetyl-17-acetyloxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate
| Molecular Formula | C25H36O5 |
|---|---|
| Molecular Weight | 416.2563 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.2563 |
| Monoisotopic Mass | 416.2563 |
| Heavy Atoms | 30 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 3517-38-2 |
|---|---|
| SMILES | CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C |
| InChIKey | JLYQTAVPLWZAFP-UHFFFAOYSA-N |
Product Overview
20-Oxopregn-5-ene-3,17-diyl diacetate (CAS 3517-38-2), with molecular formula C25H36O5 and molecular weight 416.2563 g/mol. IUPAC: (17-acetyl-17-acetyloxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate.