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CHEBI:177775 - Dexamethasone Tebutate

ChEBI IDCHEBI:177775
ChEBI NameDexamethasone Tebutate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39FO6
Net Charge0
Average Mass490.612
Monoisotopic Mass490.27307
SMILES[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)CC(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1
InChIKeyPQVDYPCHUGFHAR-PKWREOPISA-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 Tebutate (CHEBI:177775) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-luoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3,3-dimethylbutanoate
Manual XrefsDatabases
16736122ChemSpider
D07799KEGG DRUG
Registry NumbersSources
CAS:24668-75-5ChemIDplus