3,8-Di-O-methylellagic acid

For Research Use Only.
Category
Phenols
Cat.No.
NP4650
CAS
2239-88-5
Product Name
3,8-Di-O-methylellagic acid
Structure

Product Details

Description
3,8-Di-O-methylellagic acid isolated from the peels of Punica granatum L.
Synonyms
2,7-Dihydroxy-3,8-dimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione;2,7-Dihydroxy-3,8-dimethoxy-4,9-dioxapyrene-5,10-dione; ellagic acid 3,3'-dimethyl ether;
IUPAC Name
6,13-dihydroxy-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Molecular Weight
330.3
Molecular Formula
C16H10O8
Canonical SMILES
COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O
InChI
InChI=1S/C16H10O8/c1-21-11-7(17)3-5-9-10-6(15(19)23-13(9)11)4-8(18)12(22-2)14(10)24-16(5)20/h3-4,17-18H,1-2H3
InChIKey
KLAGYIBJNXLDTL-UHFFFAOYSA-N
Boiling Point
675.2±55.0 °C(Predicted)
Melting Point
330-331 °C
Flash Point
258.2°C
Purity
0.985
Density
1.673g/cm3
Appearance
Powder
Storage
2-8°C
pKa
7.37±0.20(Predicted)
Refractive Index
1.713
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