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CHEBI:175571 - 6beta-hydroxybudesonide

ChEBI IDCHEBI:175571
ChEBI Name6beta-hydroxybudesonide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILES[H][C@@]12C[C@@]3([H])OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21?,22+,23-,24-,25+/m0/s1
InChIKeyJBVVDXJXIDYDMF-GVTADUIWSA-N
ChEBI Ontology
Outgoing Relation(s)
6beta-hydroxybudesonide (CHEBI:175571) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
(1S,2S,4R,8S,9S,11S,12S,13R,19R)-11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Manual XrefsDatabases
31046529ChemSpider
Registry NumbersSources
CAS:88411-77-2ChemIDplus