3,8-Di-O-methylellagic acid

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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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