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900376

Sigma-Aldrich

(±)-Epigallocatechin-2,3,4-13C3 gallate

≥99 atom % 13C, ≥97% (CP)

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About This Item

Empirical Formula (Hill Notation):
13C3C19H18O11
Molecular Weight:
461.35
UNSPSC Code:
12352114
PubChem Substance ID:
329769819
NACRES:
NA.12

isotopic purity

≥99 atom % 13C

assay

≥97% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mass shift

M+3

SMILES string

OC(C=C1O)=CC2=C1[13C][13C](OC(C3=CC(O)=C(O)C(O)=C3)=O)[13C](C4=CC(O)=C(O)C(O)=C4)O2

InChI

1S/C22H14O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,23-30H/i7+1,18+1,21+1

InChI key

PBNRGPHPGVOJMG-XKYSQPNFSA-N

Related Categories

Application

Relative stereochemistry

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

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