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CHEBI:79614 - coumestrol diacetate

ChEBI IDCHEBI:79614
ChEBI Namecoumestrol diacetate
Stars
DefinitionA member of the class of coumestans that is the diacetate ester derivative of coumestrol.
Last Modified12 June 2015
DownloadsMolfile
FormulaC19H12O7
Net Charge0
Average Mass352.298
Monoisotopic Mass352.05830
SMILESCC(=O)Oc1ccc2c(c1)oc(=O)c1c3ccc(OC(C)=O)cc3oc21
InChIInChI=1S/C19H12O7/c1-9(20)23-11-3-5-13-15(7-11)25-18-14-6-4-12(24-10(2)21)8-16(14)26-19(22)17(13)18/h3-8H,1-2H3
InChIKeyAHOLUZZXIVWXQQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
coumestrol diacetate (CHEBI:79614) has functional parent coumestrol (CHEBI:3908)
coumestrol diacetate (CHEBI:79614) is a acetate ester (CHEBI:47622)
coumestrol diacetate (CHEBI:79614) is a coumestans (CHEBI:72577)
coumestrol diacetate (CHEBI:79614) is a δ-lactone (CHEBI:18946)
IUPAC Name 
6-oxo-6H-[1]benzofuro[3,2-c][1]benzopyran-3,9-diyl diacetate
Manual XrefsDatabases
C15095KEGG COMPOUND
Registry NumbersSources
Reaxys:346826Reaxys
CAS:35826-57-4KEGG COMPOUND
CAS:35826-57-4ChemIDplus
Citations