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Merck
CN

PHL83569

Theogallin

phyproof® Reference Substance

Synonym(s):

3-Galloylquinic acid, Quinic acid 3-gallate

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About This Item

Empirical Formula (Hill Notation):
C14H16O10
CAS Number:
Molecular Weight:
344.27
UNSPSC Code:
41116107
NACRES:
NA.24
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grade

primary reference standard

product line

phyproof® Reference Substance

assay

≥90.0% (HPLC)

manufacturer/tradename

PhytoLab

application(s)

food and beverages

format

neat

storage temp.

−20°C

SMILES string

O([C@H]2[C@@H]([C@@H](C[C@@](C2)(O)C(=O)O)O)O)C(=O)c1cc(c(c(c1)O)O)O

InChI

1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1

InChI key

LDPLFHGGZNSKDS-FTBFGRRBSA-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

Legal Information

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


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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