1,2,3,4-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose

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Systematic / IUPAC Name: [(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

ID: Reference8108

Other Names: β-D-Glucopyranose, 1,2,3,4-tetrakis(3,4,5-trihydroxybenzoate)

Formula: C34H28O22

Spectral Data

1,2,3,4-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 7/25/2018 8:34:55 AM
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Identificators

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

In Other Databases

ChemSpider 4479479
PubChem 5321843