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CHEBI:135981 - estradiol acetate

ChEBI IDCHEBI:135981
ChEBI Nameestradiol acetate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILES[H][C@@]12CCc3cc(OC(C)=O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKeyFHXBMXJMKMWVRG-SLHNCBLASA-N
ChEBI Ontology
Outgoing Relation(s)
estradiol acetate (CHEBI:135981) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
4497DrugCentral
Registry NumbersSources
CAS:4245-41-4DrugCentral