3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

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Systematic / IUPAC Name: 3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

ID: Reference7515

Other Names: 1-Propanone, 1-(2,6-dihydroxy-4-{[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy}phenyl)-3-(4-hydroxyphenyl)-

Formula: C28H28O14

Spectral Data

3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside 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 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/12/2018 11:41:13 AM
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Identificators

InChI InChI=1S/C28H28O14/c29-14-4-1-12(2-5-14)3-6-16(30)22-17(31)9-15(10-18(22)32)41-28-26(38)25(37)24(36)21(42-28)11-40-27(39)13-7-19(33)23(35)20(34)8-13/h1-2,4-5,7-10,21,24-26,28-29,31-38H,3,6,11H2/t21-,24-,25+,26-,28-/m1/s1
InChI Key YPFUHFNAEWURDN-ZKPBLSLZSA-N
Canonical SMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O
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Other Names 1-Propanone, 1-(2,6-dihydroxy-4-{[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy}phenyl)-3-(4-hydroxyphenyl)-

In Other Databases

PubChem 24039364
ChemSpider 22913853