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Merck
CN

SMB00247

1,3,6-Trigalloylglucose

≥95% (LC/MS-ELSD)

Synonym(s):

1,3,6-Tri-O-galloyl-β-D-glucopyranose, 1,3,6-Tri-O-galloyl-β-D-glucose, Tannic acid (Corilagin)

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About This Item

Empirical Formula (Hill Notation):
C27H24O18
CAS Number:
18483-17-5
Molecular Weight:
636.47
NACRES:
NA.25
PubChem Substance ID:
329824900
UNSPSC Code:
12352200
MDL number:
MFCD06656305

Key Documents

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Product Name

1,3,6-Trigalloylglucose, ≥95% (LC/MS-ELSD)

InChI

1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1

SMILES string

O=C(C1=CC(O)=C(O)C(O)=C1)O[C@H]2[C@H](O)[C@@H](OC(C3=CC(O)=C(O)C(O)=C3)=O)[C@H](O)[C@@H](COC(C4=CC(O)=C(O)C(O)=C4)=O)O2

InChI key

RNKMOGIPOMVCHO-SJMVAQJGSA-N

assay

≥95% (LC/MS-ELSD)

form

powder

application(s)

metabolomics
vitamins, nutraceuticals, and natural products

storage temp.

−20°C

Related Categories

General description

Natural product derived from plant source.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
12222878V
122228-78V

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Danh C Vu et al.
Journal of agricultural and food chemistry, 66(17), 4503-4511 (2018-04-18)
Black walnuts ( Juglans nigra L.) are highly valued for producing phenolic-enriched nuts. The objectives of this study were to identify and characterize the phenolic contents of 11 different black walnut cultivars and compare the levels of these phenolics between
Alessia Panusa et al.
Phytochemistry, 115, 79-88 (2015-02-24)
The aim of this study was to get a rapid metabolic fingerprinting and to gain insight into the metabolic profiling of Arctostaphylos pungens H. B. K., a plant morphologically similar to Arctostaphylos uva-ursi (L.) Spreng. (bearberry) but with a lower

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