1,6-Bis-O-(3,4,5-trihydroxybenzoyl)hexopyranose

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Systematic / IUPAC Name: [3,4,5-Trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

ID: Reference7401

Other Names: 3,4,5-Trihydroxy-2-(3,4,5-trihydroxyphenylcarbonyloxy)-6-(3,4,5-trihydroxyphenylcarbonyloxymethyl)tetrahydro-2H-pyran;
Hexopyranose, 1,6-bis(3,4,5-trihydroxybenzoate)

Formula: C20H20O14

Spectral Data

1,6-Bis-O-(3,4,5-trihydroxybenzoyl)hexopyranose 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 6673
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/13/2018 2:08:55 PM
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Identificators

InChI InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2
InChI Key LYGRISUQIZNHGM-UHFFFAOYSA-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)O)O)O
CAS
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Other Names 3,4,5-Trihydroxy-2-(3,4,5-trihydroxyphenylcarbonyloxy)-6-(3,4,5-trihydroxyphenylcarbonyloxymethyl)tetrahydro-2H-pyran;
Hexopyranose, 1,6-bis(3,4,5-trihydroxybenzoate)

In Other Databases

ChemSpider 2579268
PubChem 3332212