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CHEBI:184029 - Betamethasone 9,11-epoxide 21-propionate
| Formula | C25H32O6 |
| Net Charge | 0 |
| Average Mass | 428.525 |
| Monoisotopic Mass | 428.21989 |
| SMILES | [H][C@@]12C[C@H](C)[C@](O)(C(=O)COC(=O)CC)[C@@]1(C)C[C@]1([H])O[C@]13[C@@]2([H])CCC1=CC(=O)C=C[C@@]13C |
| InChI | InChI=1S/C25H32O6/c1-5-21(28)30-13-19(27)24(29)14(2)10-18-17-7-6-15-11-16(26)8-9-22(15,3)25(17)20(31-25)12-23(18,24)4/h8-9,11,14,17-18,20,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,20-,22-,23-,24-,25+/m0/s1 |
| InChIKey | VHNLZHWRYPLCSE-QYIVYLGBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Betamethasone 9,11-epoxide 21-propionate (CHEBI:184029) is a iridoid monoterpenoid (CHEBI:50563) |
| IUPAC Name |
|---|
| [2-[(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] propanoate |
| Manual Xrefs | Databases |
|---|---|
| 31045546 | ChemSpider |