1,2,3,6-Tetra-O-galloyl-β-D-glucose

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Systematic / IUPAC Name: 1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose

ID: Reference8048

Other Names: 1,2,3,6-Tetragalloylglucose;
1,2,3,6-Tetrakis-O-galloyl-β-D-glucose;
1,2,3,6-Tgg;
NP-003686;
β-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate)

Formula: C34H28O22

Spectral Data

1,2,3,6-Tetra-O-galloyl-β-D-glucose mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 3
No. of Spectra 6983
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 6/8/2018 7:21:19 AM
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Identificators

InChI InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1
InChI Key RATQVALKDAUZBW-XPMKZLBQSA-N
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
CAS
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Other Names 1,2,3,6-Tetragalloylglucose;
1,2,3,6-Tetrakis-O-galloyl-β-D-glucose;
1,2,3,6-Tgg;
NP-003686;
β-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate)

In Other Databases

ChEBI CHEBI:17527
ChemIDPlus 079886503
PubChem 73178
KEGG C04516
ChemSpider 65940
ChEMBL CHEMBL449947