6-O-(3,4-Dihydroxy-2-methylenebutanoyl)-1-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranose

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Systematic / IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 3,4-dihydroxy-2-methylidenebutanoate

ID: Reference7787

Other Names: β-D-Glucopyranose, 1-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-, 6-(3,4-dihydroxy-2-methylenebutanoate)

Formula: C20H24O10

Spectral Data

6-O-(3,4-Dihydroxy-2-methylenebutanoyl)-1-O-[(2E)-3-phenyl-2-propenoyl]-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 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/16/2018 1:10:59 PM
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Identificators

InChI InChI=1S/C20H24O10/c1-11(13(22)9-21)19(27)28-10-14-16(24)17(25)18(26)20(29-14)30-15(23)8-7-12-5-3-2-4-6-12/h2-8,13-14,16-18,20-22,24-26H,1,9-10H2/b8-7+/t13?,14-,16-,17+,18-,20+/m1/s1
InChI Key MYWZGSROPRXVPM-AUMMCNCRSA-N
Canonical SMILES C=C(C(CO)O)C(=O)OCC1C(C(C(C(O1)OC(=O)C=CC2=CC=CC=C2)O)O)O
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Other Names β-D-Glucopyranose, 1-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-, 6-(3,4-dihydroxy-2-methylenebutanoate)

In Other Databases

PubChem 23786389
ChemSpider 22912922