4-(3-Hydroxybutyl)phenyl β-D-glucopyranoside

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Systematic / IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-(3-Hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

ID: Reference8067

Other Names: β-D-Glucopyranoside, 4-(3-hydroxybutyl)phenyl

Formula: C16H24O7

Spectral Data

4-(3-Hydroxybutyl)phenyl 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 609
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/13/2018 10:56:16 AM
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Identificators

InChI InChI=1S/C16H24O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9?,12-,13-,14+,15-,16-/m1/s1
InChI Key SCUSKAVTYFDOEU-YLHHEPAUSA-N
Canonical SMILES CC(CCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O
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Other Names β-D-Glucopyranoside, 4-(3-hydroxybutyl)phenyl

In Other Databases

PubChem 56776296
ChemSpider 29813981