3,7,8-Tri-O-methylellagic acid 2-O-rutinoside

Inquiry

For Research Use Only.

Category

Phenols

Cat.No.

NP5000

CAS

56470-18-9

Product Name

3,7,8-Tri-O-methylellagic acid 2-O-rutinoside

Structure

Product Details

Description

3,7,8-Tri-O-methylellagic acid 2-O-rutinoside is a natural product found in Brainea insignis and Euphorbia tirucalli.

Synonyms

[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-3,7,8-trimethoxy-; 3,3',4'-Tri-O-methylellagic acid 4-O-rutinoside; 2-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-3,7,8-trimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione; 3,3',4-Tri-O-methyl-4'-O-rutinosylellagic acid; 7-[(6-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-2,3,8-trimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione

IUPAC Name

6,7,14-trimethoxy-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-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

652.56

Molecular Formula

C29H32O17

Canonical SMILES

O=C1OC=2C(OC)=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C5C(=O)OC6=C(OC)C(OC)=CC1=C6C25

InChI

InChI=1S/C29H32O17/c1-8-16(30)18(32)20(34)28(42-8)41-7-13-17(31)19(33)21(35)29(44-13)43-12-6-10-15-14-9(26(36)46-25(15)23(12)40-4)5-11(38-2)22(39-3)24(14)45-27(10)37/h5-6,8,13,16-21,28-35H,7H2,1-4H3/t8-,13+,16-,17+,18+,19-,20+,21+,28+,29+/m0/s1

InChIKey

OTHVXIIXNQEQPH-PICHOHMMSA-N

Boiling Point

970.7±65.0°C (Predicted)

Purity

≥95%

Density

1.69±0.1 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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