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CHEBI:31277 - betamethasone valerate
| Formula | C27H37FO6 |
| Net Charge | 0 |
| Average Mass | 476.585 |
| Monoisotopic Mass | 476.25742 |
| SMILES | [H][C@@]12C[C@H](C)[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C |
| InChI | InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1 |
| InChIKey | SNHRLVCMMWUAJD-SUYDQAKGSA-N |
| Roles Classification |
|---|
| Application: | anti-inflammatory drug A substance that reduces or suppresses inflammation. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| betamethasone valerate (CHEBI:31277) has functional parent betamethasone (CHEBI:3077) |
| betamethasone valerate (CHEBI:31277) has role anti-inflammatory drug (CHEBI:35472) |
| betamethasone valerate (CHEBI:31277) is a 11β-hydroxy steroid (CHEBI:35346) |
| betamethasone valerate (CHEBI:31277) is a 20-oxo steroid (CHEBI:36885) |
| betamethasone valerate (CHEBI:31277) is a 21-hydroxy steroid (CHEBI:35344) |
| betamethasone valerate (CHEBI:31277) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166) |
| betamethasone valerate (CHEBI:31277) is a fluorinated steroid (CHEBI:50830) |
| betamethasone valerate (CHEBI:31277) is a primary α-hydroxy ketone (CHEBI:139590) |
| betamethasone valerate (CHEBI:31277) is a steroid ester (CHEBI:47880) |
| IUPAC Name |
|---|
| 9-fluoro-11β,21-dihydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate |
| Synonyms | Source |
|---|---|
| 9-fluoro-11β,21-dihydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate | ChEBI |
| Betamethasone 17-valerate | ChemIDplus |
| 9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione-17-valerate | ChemIDplus |