4-(β-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate

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Systematic / IUPAC Name: {4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl}methyl 2,3-dihydroxy-3-methylpentanoate

ID: Reference7980

Other Names: Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(β-D-glucopyranosyloxy)phenyl]methyl ester

Formula: C19H28O10

Spectral Data

4-(β-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate 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 1303
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/21/2018 7:42:56 AM
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Identificators

InChI InChI=1S/C19H28O10/c1-3-19(2,26)16(24)17(25)27-9-10-4-6-11(7-5-10)28-18-15(23)14(22)13(21)12(8-20)29-18/h4-7,12-16,18,20-24,26H,3,8-9H2,1-2H3/t12-,13-,14+,15-,16?,18-,19?/m1/s1
InChI Key UKSHFSUBKYPKMO-VDKCXIARSA-N
Canonical SMILES CCC(C)(C(C(=O)OCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O)O
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Other Names Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(β-D-glucopyranosyloxy)phenyl]methyl ester

In Other Databases

PubChem 57509396
ChemSpider 29814112