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CHEBI:79669 - 17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate

ChEBI IDCHEBI:79669
ChEBI Name17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate
Stars
DownloadsMolfile
FormulaC19H26O4
Net Charge0
Average Mass318.413
Monoisotopic Mass318.18311
SMILES[H][C@]12C=CC(=O)O[C@]1([H])CC[C@@]1([H])[C@]3([H])CC[C@H](OC(C)=O)[C@@]3(C)CC[C@]21[H]
InChIInChI=1S/C19H26O4/c1-11(20)22-17-7-5-15-13-3-6-16-14(4-8-18(21)23-16)12(13)9-10-19(15,17)2/h4,8,12-17H,3,5-7,9-10H2,1-2H3/t12-,13+,14+,15-,16+,17-,19-/m0/s1
InChIKeyHLTJNNHJVDFQJM-XENJLOSESA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate (CHEBI:79669) is a oxo steroid (CHEBI:35789)
Manual XrefsDatabases
C15151KEGG COMPOUND