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CHEBI:174827 - 19-Oic-deoxycorticosterone

ChEBI IDCHEBI:174827
ChEBI Name19-Oic-deoxycorticosterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C(=O)O)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)CO)CC[C@@]21[H]
InChIInChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14-,15-,16-,17+,20-,21+/m0/s1
InChIKeyRUPOMAOZPOVHQZ-XYNCURNNSA-N
ChEBI Ontology
Outgoing Relation(s)
19-Oic-deoxycorticosterone (CHEBI:174827) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
(8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
Manual XrefsDatabases
117890ChemSpider
Registry NumbersSources
CAS:81309-33-3ChemIDplus