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Merck
CN

900370

(±)-Catechin-2,3,4-13C3 gallate

≥99 atom % 13C, ≥97% (CP)

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About This Item

Empirical Formula (Hill Notation):
13C3C19H18O10
Molecular Weight:
445.35
UNSPSC Code:
12352114
PubChem Substance ID:
NACRES:
NA.12
Isotopic purity:
≥99 atom % 13C
Assay:
≥97% (CP)
Mass shift:
M+3
Form:
powder
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Product Name

(±)-Catechin-2,3,4-13C3 gallate, ≥99 atom % 13C, ≥97% (CP)

SMILES string

OC1=C(C(O)=CC(C(O[13C]([13C]2)[13C](OC3=C2C(O)=CC(O)=C3)C(C=C4O)=CC=C4O)=O)=C1)O

InChI

1S/C22H14O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,23-29H/i8+1,19+1,21+1

InChI key

SFJYIQKCXZHKAJ-SFWKTOTKSA-N

isotopic purity

≥99 atom % 13C

assay

≥97% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mass shift

M+3

Quality Level

Related Categories

Application

Relative stereochemistry

pictograms

Exclamation mark

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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