Ethyl brevifolincarboxylate

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For Research Use Only.

Category

Phenols

Cat.No.

NP4947

CAS

107646-82-2

Product Name

Ethyl brevifolincarboxylate

Structure

Product Details

Description

Ethyl brevifolincarboxylate is a natural product found in Punica granatum.

Synonyms

Cyclopenta[c][2]benzopyran-1-carboxylic acid, 1,2,3,5-tetrahydro-7,8,9-trihydroxy-3,5-dioxo-, ethyl ester; Ethyl 7,8,9-trihydroxy-3,5-dioxo-1,2,3,5-tetrahydrocyclopenta[c]isochromene-1-carboxylate; EBFC; ethylbrevifolin carboxylate; 7,8,9-Trihydroxy-3,5-dioxo-1,2,3,5-tetrahydrocyclopenta[c][2]benzopyran-1-carboxylic acid ethyl ester

IUPAC Name

ethyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate

Molecular Weight

320.25

Molecular Formula

C15H12O8

Canonical SMILES

CCOC(=O)C1CC(=O)C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O

InChI

InChI=1S/C15H12O8/c1-2-22-14(20)6-4-8(17)13-10(6)9-5(15(21)23-13)3-7(16)11(18)12(9)19/h3,6,16,18-19H,2,4H2,1H3

InChIKey

JSEPSLOCPQODTM-UHFFFAOYSA-N

Boiling Point

629.6±55.0°C (Predicted)

Melting Point

>350°C

Purity

≥95%

Density

1.70±0.1 g/cm3 (Predicted)

Solubility

Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol

Appearance

Yellow Powder

Storage

Store at -20°C

Color

Yellow

Form

Powder

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