CHEBI:181323 - Dexbudesonide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dexbudesonide
ChEBI ID CHEBI:181323
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H34O6
Net Charge 0
Average Mass 430.541
Monoisotopic Mass 430.23554
InChI InChI=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
InChIKey VOVIALXJUBGFJZ-VXKMTNQYSA-N
SMILES O1[C@]2([C@@]3([C@]([C@]4([C@]([C@@H](O)C3)([C@@]5(C(CC4)=CC(=O)C=C5)C)[H])[H])(C[C@]2(O[C@H]1CCC)[H])[H])C)C(=O)CO
ChEBI Ontology
Outgoing 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 Xrefs Databases
36566 ChemSpider
8W5 PDBeChem
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Registry Number Type Source
51372-29-3 CAS Registry Number ChemIDplus