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CHEBI:181323 - Dexbudesonide

ChEBI IDCHEBI:181323
ChEBI NameDexbudesonide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILES[H][C@@]12C[C@@]3([H])O[C@@H](CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
InChIKeyVOVIALXJUBGFJZ-VXKMTNQYSA-N
ChEBI Ontology
Outgoing Relation(s)
Dexbudesonide (CHEBI:181323) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-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
36566ChemSpider
8W5PDBeChem
Registry NumbersSources
CAS:51372-29-3ChemIDplus