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CHEBI:47886 - methyl prednisolone-16-carboxylate
| Formula | C23H30O7 |
| Net Charge | 0 |
| Average Mass | 418.486 |
| Monoisotopic Mass | 418.19915 |
| SMILES | [H][C@@]12CC(C(=O)OC)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C |
| InChI | InChI=1S/C23H30O7/c1-21-7-6-13(25)8-12(21)4-5-14-15-9-16(20(28)30-3)23(29,18(27)11-24)22(15,2)10-17(26)19(14)21/h6-8,14-17,19,24,26,29H,4-5,9-11H2,1-3H3/t14-,15-,16?,17-,19+,21-,22-,23-/m0/s1 |
| InChIKey | SNIXVWCOGOOOGH-ZIIXMLBZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl prednisolone-16-carboxylate (CHEBI:47886) has functional parent prednisolone-16-carboxylic acid (CHEBI:47888) |
| methyl prednisolone-16-carboxylate (CHEBI:47886) is a 11β-hydroxy steroid (CHEBI:35346) |
| methyl prednisolone-16-carboxylate (CHEBI:47886) is a 17α-hydroxy steroid (CHEBI:35342) |
| methyl prednisolone-16-carboxylate (CHEBI:47886) is a 20-oxo steroid (CHEBI:36885) |
| methyl prednisolone-16-carboxylate (CHEBI:47886) is a 21-hydroxy steroid (CHEBI:35344) |
| methyl prednisolone-16-carboxylate (CHEBI:47886) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166) |
| methyl prednisolone-16-carboxylate (CHEBI:47886) is a primary α-hydroxy ketone (CHEBI:139590) |
| methyl prednisolone-16-carboxylate (CHEBI:47886) is a steroid acid ester (CHEBI:47887) |
| methyl prednisolone-16-carboxylate (CHEBI:47886) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| Incoming Relation(s) |
| methyl prednisolone-16α-carboxylate (CHEBI:47890) is a methyl prednisolone-16-carboxylate (CHEBI:47886) |
| IUPAC Name |
|---|
| methyl 11β,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate |
| Synonym | Source |
|---|---|
| methyl (11β)-11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Beilstein:10733581 | Beilstein |