17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate
[2-(3-acetyloxy-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: KBio3_002164|Tetrahydrocortisone 3,21-diacetate|EINECS 249-018-2|17-hydroxy-11,20-dioxopregnane-3,21-diyl diacetate|3b,5b-Tetrahydro Cortisone 3,21-Diacetate|3alpha,17,21-Trihydroxy-5beta-pregnane-11,20-dione 3,21-di(acetate)|A-Pregnan-3|A,17,21-triol-11,20-dione 3,21-diacetate|[2-(3-acetyloxy-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate|[2-[(3R,5R,8S,9S,10S,13S,14S,17R)-3-acetyloxy-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate|3alpha,17,21-trihydroxy-5beta-pregnane-11,20-dione 3,21-di(acetate);3|A,21-Bis(acetyloxy)-17-hydroxy-5|A-pregnane-11,20-dione
| Molecular Formula | C25H36O7 |
|---|---|
| Molecular Weight | 448.2461 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.2461 |
| Heavy Atoms | 32 |
| Complexity | 836.1 |
Chemical Identifiers
| CAS Number | 28439-40-9 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)OC(=O)C)C)C)O |
Product Overview
17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate (CAS 28439-40-9), with molecular formula C25H36O7 and molecular weight 448.2461 g/mol. IUPAC: [2-(3-acetyloxy-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
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