EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79735 - beta-Estradiol 17-acetate

ChEBI IDCHEBI:79735
ChEBI Namebeta-Estradiol 17-acetate
Stars
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]21[H]
InChIInChI=1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKeyQAHOQNJVHDHYRN-SLHNCBLASA-N
ChEBI Ontology
Outgoing Relation(s)
beta-Estradiol 17-acetate (CHEBI:79735) is a steroid ester (CHEBI:47880)
Synonyms  Source
17beta-AcetylestradiolKEGG COMPOUND
Estra-1,3,5(10)-triene-3,17beta-diol 17-acetateKEGG COMPOUND
Manual XrefsDatabases
C15228KEGG COMPOUND