(2S,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside

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Systematic / IUPAC Name: (2S,3R,4S,5S,6R)-2-{[(2S,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

ID: Reference8035

Other Names: β-D-Glucopyranoside, (2S,3R)-3,4-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-yl

Formula: C21H24O10

Spectral Data

(2S,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl 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 315
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/6/2018 8:46:39 AM
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Identificators

InChI InChI=1S/C21H24O10/c22-8-16-17(26)18(27)19(28)21(31-16)29-11-5-13(24)12-7-14(25)20(30-15(12)6-11)9-1-3-10(23)4-2-9/h1-6,14,16-28H,7-8H2/t14-,16-,17-,18+,19-,20+,21-/m1/s1
InChI Key BUZPALUBBJZNNV-ZZIZYRMTSA-N
Canonical SMILES C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O
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Other Names β-D-Glucopyranoside, (2S,3R)-3,4-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-yl

In Other Databases

ChemSpider 64892241
PubChem 75528886