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CHEBI:79653 - 3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate

ChEBI IDCHEBI:79653
ChEBI Name3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate
Stars
Last Modified17 March 2016
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILES[H][C@@]12CC=C3C[C@@H](OC(C)=O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C21H28O4/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,12,15-18H,4-11H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKeyOJRZFJGEWPAMMR-JPRZGNOKSA-N
ChEBI Ontology
Outgoing Relation(s)
3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate (CHEBI:79653) is a steroid aldehyde (CHEBI:131565)
3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate (CHEBI:79653) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C15135KEGG COMPOUND