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PHL80426

3,5-Dicaffeoylquinic acid

phyproof® Reference Substance

Synonym(s):

3,5-Di-caffeoylquinic acid

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About This Item

Empirical Formula (Hill Notation):
C25H24O12
CAS Number:
Molecular Weight:
516.45
UNSPSC Code:
41116107
NACRES:
NA.24
MDL number:
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grade

primary reference standard

product line

phyproof® Reference Substance

assay

≥95.0% (HPLC)

manufacturer/tradename

PhytoLab

application(s)

food and beverages

format

neat

storage temp.

2-8°C

SMILES string

O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\C=C\c2ccc(O)c(O)c2)C(O)=O)OC(=O)\C=C\c3ccc(O)c(O)c3

InChI

1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

InChI key

KRZBCHWVBQOTNZ-PSEXTPKNSA-N

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Other Notes

This compound is commonly found in plants of the genus: echinacea hedera

Legal Information

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


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Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable



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