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CHEBI:79804 - 11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate

Default Structure
ChEBI IDCHEBI:79804
ChEBI Name11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
Stars
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](C)C[C@@]21C
InChIInChI=1S/C24H34O6/c1-13-10-22(3)15(9-18(13)26)5-6-16-17-7-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22/h9,13,16-17,19,21,27,29H,5-8,10-12H2,1-4H3/t13-,16+,17+,19+,21-,22+,23+,24+/m1/s1
InChIKeyIKJVLEFNIBROAJ-GUTMJZMYSA-N
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)
11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79804) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
17-Hydroxy-2alpha-methylcorticosterone 21-acetateKEGG COMPOUND
2alpha-Methylcortisol acetateKEGG COMPOUND
Manual XrefsDatabases
C15302KEGG COMPOUND