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CHEBI:34141 - 11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate

ChEBI IDCHEBI:34141
ChEBI Name11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H32O5
Net Charge0
Average Mass388.504
Monoisotopic Mass388.22497
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@H](C(=O)COC(C)=O)CC[C@@]21[H]
InChIInChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1
InChIKeyWKQCPUMQBMFPLC-ZWFCQKKLSA-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,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate (CHEBI:34141) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetateKEGG COMPOUND
Corticosterone 21-acetateKEGG COMPOUND
Manual XrefsDatabases
C14675KEGG COMPOUND
Registry NumbersSources
CAS:1173-26-8KEGG COMPOUND