6β-Hydroxy prednisolone

Chemical Information
6beta-hydroxyprednisolone is a glucocorticoid that is prednisolone carrying a hydroxy group at the 6beta position. It is a metabolite of prednisolone found in human urine. It has a role as a human urinary metabolite. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 6beta-hydroxy steroid, a 20-oxo steroid, a C21-steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a prednisolone.
| CAS Number | 16355-29-6 |
| PubChem CID | 14726612 |
| IUPAC Name | (6R,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one |
| Molecular Formula | C21H28O6 |
| Molecular Weight | 376.4 |
| XLogP | 0.3 |
| Topological Polar Surface Area | 115 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 756 |
| Property | Value |
|---|---|
| Molecular Weight | 376.4 |
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 376.18858861 |
| Monoisotopic Mass | 376.18858861 |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 756 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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