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Merck
CN

PHL83343

Theaflavin 3′-gallate

phyproof® Reference Substance

Synonym(s):

Theaflavin 2B, Theaflavin monogallate B

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About This Item

Empirical Formula (Hill Notation):
C36H28O16
CAS Number:
Molecular Weight:
716.60
UNSPSC Code:
41116107
NACRES:
NA.24
MDL number:
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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

O1[C@@H]([C@@H](Cc7c1cc(cc7O)O)OC(=O)c6cc(c(c(c6)O)O)O)c2c3c([c](c(cc(c3)[C@H]4Oc5c(c(cc(c5)O)O)C[C@H]4O)O)=O)c(c(c2)O)O

InChI

1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1

InChI key

GPLOTACQBREROW-WQLSNUALSA-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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