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Merck
CN

PHL82591

3,3′-Di-O-methylellagic acid 4′-xylopyranoside

phyproof® Reference Substance

Synonym(s):

3,3′-Di-O-methyl ellagic acid 4′-O-β-D-xylopyranoside, 2-Hydroxy-3,8-dimethoxy-7-(β-D-xylopyranosyloxy)-[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 3,3′-Di-O-methyl-4-O-((β-D-xylopyranosyl)ellagic acid, 3-O-Methylducheside A

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About This Item

Empirical Formula (Hill Notation):
C21H18O12
CAS Number:
62218-23-9
Molecular Weight:
462.36
NACRES:
NA.24
UNSPSC Code:
41116107
Beilstein/REAXYS Number:
1612181
MDL number:
MFCD05260674

Key Documents

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SMILES string

COc1c(O)cc2C(=O)Oc3c(OC)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc5C(=O)Oc1c2-c35

InChI

1S/C21H18O12/c1-28-15-8(22)3-6-11-12-7(20(27)32-17(11)15)4-10(16(29-2)18(12)33-19(6)26)31-21-14(25)13(24)9(23)5-30-21/h3-4,9,13-14,21-25H,5H2,1-2H3/t9-,13+,14-,21+/m1/s1

InChI key

UDWUZPSSUIWBKB-LAPUEANGSA-N

grade

primary reference standard

product line

phyproof® Reference Substance

assay

≥90.0% (HPLC)

form

solid

manufacturer/tradename

PhytoLab

Related Categories

General description

This substance is supplied with certified chromatographic purity. The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
115136119

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