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CHEBI:177864 - Dexamethasone beloxil

ChEBI IDCHEBI:177864
ChEBI NameDexamethasone beloxil
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35FO5
Net Charge0
Average Mass482.592
Monoisotopic Mass482.24685
SMILES[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COCc3ccccc3)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1
InChIKeyFXEMVMUWTJUWJB-DKOUAETMSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
Dexamethasone beloxil (CHEBI:177864) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
(8S,9R,10S,11S,13S,14S,16R,17R)-9-luoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phenylmethoxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
571094ChemSpider
D02592KEGG DRUG
Registry NumbersSources
CAS:150587-07-8ChemIDplus