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CHEBI:86538 - 2,3-diacetoxypropioveratrone

ChEBI IDCHEBI:86538
ChEBI Name2,3-diacetoxypropioveratrone
Stars
DefinitionAn aromatic ketone that is propiophenone substituted by acetoxy groups at positions 1 and 2 and methoxy groups at positions 3' and 4' respectively.
Last Modified20 July 2015
DownloadsMolfile
FormulaC15H18O7
Net Charge0
Average Mass310.302
Monoisotopic Mass310.10525
SMILESCOc1ccc(C(=O)C(COC(C)=O)OC(C)=O)cc1OC
InChIInChI=1S/C15H18O7/c1-9(16)21-8-14(22-10(2)17)15(18)11-5-6-12(19-3)13(7-11)20-4/h5-7,14H,8H2,1-4H3
InChIKeyCCCJAULJBXHHEV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,3-diacetoxypropioveratrone (CHEBI:86538) has functional parent propiophenone (CHEBI:425902)
2,3-diacetoxypropioveratrone (CHEBI:86538) is a acetate ester (CHEBI:47622)
2,3-diacetoxypropioveratrone (CHEBI:86538) is a aromatic ketone (CHEBI:76224)
2,3-diacetoxypropioveratrone (CHEBI:86538) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
3-(3,4-dimethoxyphenyl)-3-oxopropane-1,2-diyl diacetate