4-{(E)-2-[3-(β-D-Glucopyranosyloxy)-5-hydroxyphenyl]vinyl}-2-methoxyphenyl β-D-glucopyranoside

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Systematic / IUPAC Name: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[4-((E)-2-{3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl}ethenyl)-2-methoxyphenoxy]oxane-3,4,5-triol

ID: Reference8036

Other Names: β-D-Glucopyranoside, 4-{(E)-2-[3-(β-D-glucopyranosyloxy)-5-hydroxyphenyl]ethenyl}-2-methoxyphenyl

Formula: C27H34O14

Spectral Data

4-{(E)-2-[3-(β-D-Glucopyranosyloxy)-5-hydroxyphenyl]vinyl}-2-methoxyphenyl 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 418
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/6/2018 11:15:00 AM
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Identificators

InChI InChI=1S/C27H34O14/c1-37-17-8-12(4-5-16(17)39-27-25(36)23(34)21(32)19(11-29)41-27)2-3-13-6-14(30)9-15(7-13)38-26-24(35)22(33)20(31)18(10-28)40-26/h2-9,18-36H,10-11H2,1H3/b3-2+/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChI Key SKQIOEZYEYGYEH-KFPNGALKSA-N
Canonical SMILES COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
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Other Names β-D-Glucopyranoside, 4-{(E)-2-[3-(β-D-glucopyranosyloxy)-5-hydroxyphenyl]ethenyl}-2-methoxyphenyl

In Other Databases

ChemSpider 22913126
PubChem 23955882