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CHEBI:79815 - 3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one

ChEBI IDCHEBI:79815
ChEBI Name3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
Stars
DownloadsMolfile
FormulaC22H26O5
Net Charge0
Average Mass370.445
Monoisotopic Mass370.17802
SMILES[H][C@@]12CC(=O)c3cc(OC(C)=O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]21[H]
InChIInChI=1S/C22H26O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)27-13(2)24)17(16)11-20(25)18(15)10-14/h4-5,10,16-17,19,21H,6-9,11H2,1-3H3/t16-,17-,19+,21+,22+/m1/s1
InChIKeyREXFWMANWYNMPV-AJYQEWAOSA-N
ChEBI Ontology
Outgoing Relation(s)
3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one (CHEBI:79815) is a steroid ester (CHEBI:47880)
Synonyms  Source
3,17beta-Dihydroxyestra-1,3,5(10)-trien-6-one diacetateKEGG COMPOUND
6-Oxo-17beta-estradiol diacetateKEGG COMPOUND
Manual XrefsDatabases
C15313KEGG COMPOUND