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CHEBI:166775 - 17,21-Dihydroxypregn-4-en-3-one

ChEBI IDCHEBI:166775
ChEBI Name17,21-Dihydroxypregn-4-en-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@](O)(CCO)CC[C@@]21[H]
InChIInChI=1S/C21H32O3/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h13,16-18,22,24H,3-12H2,1-2H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChIKeyABBVGECYEGYVPY-CEGNMAFCSA-N
ChEBI Ontology
Outgoing Relation(s)
17,21-Dihydroxypregn-4-en-3-one (CHEBI:166775) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
(8R,9S,10R,13S,14S,17S)-17-hydroxy-17-(2-hydroxyethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
96976ChemSpider
HMDB0003851HMDB
Registry NumbersSources
CAS:10456-50-5ChemIDplus