18-Hydroxycortisone
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Also Known As: 18-Hydroxycortisone|17,18,21-Trihydroxy-4-pregnene-3,11,20-trione|17,18,21-Trihydroxypregn-4-ene-3,11,20-trione|Pregn-4-ene-3,11,20-trione, 17,18,21-trihydroxy-|(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
| Molecular Formula | C21H28O6 |
|---|---|
| Molecular Weight | 376.1886 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.1886 |
| Monoisotopic Mass | 376.1886 |
| Heavy Atoms | 27 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 4087-07-4 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)CO |
| InChIKey | FPYGQPQXGSIDSF-RBWSHPMZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
18-Hydroxycortisone (CAS 4087-07-4), with molecular formula C21H28O6 and molecular weight 376.1886 g/mol. IUPAC: (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione.