3-O-Methylellagic acid 4-O-rhamnoside

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For Research Use Only.

Category

Phenols

Cat.No.

NP4911

CAS

639089-97-7

Product Name

3-O-Methylellagic acid 4-O-rhamnoside

Structure

Product Details

Description

3-O-Methylellagic acid 4-O-rhamnoside is a natural product found in Punica granatum and Melaleuca ericifolia.

Synonyms

[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-[(6-deoxy-α-L-mannopyranosyl)oxy]-7,8-dihydroxy-3-methoxy-; 7,8-Dihydroxy-3-methoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl 6-deoxy-α-L-mannopyranoside; 2-[(6-Deoxy-α-L-mannopyranosyl)oxy]-7,8-dihydroxy-3-methoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione

IUPAC Name

6,7-dihydroxy-14-methoxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-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

462.36

Molecular Formula

C21H18O12

Canonical SMILES

CC1C(C(C(C(O1)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)OC)O)O)O

InChI

InChI=1S/C21H18O12/c1-5-12(23)14(25)15(26)21(30-5)31-9-4-7-11-10-6(19(27)33-18(11)16(9)29-2)3-8(22)13(24)17(10)32-20(7)28/h3-5,12,14-15,21-26H,1-2H3/t5-,12-,14+,15+,21-/m0/s1

InChIKey

LPXGCZRQLILWOH-UKZWKHHHSA-N

Boiling Point

854.4±65.0°C (Predicted)

Purity

≥95%

Density

1.765±0.06 g/cm3 (Predicted)

Solubility

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

Appearance

Powder

Storage

Store at -20°C

Form

Powder

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