4-(4-Hydroxyphenyl)-2-butanyl 6-O-[(4ξ)-α-L-threo-pentofuranosyl]-β-D-glucopyranoside

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Systematic / IUPAC Name: (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol

ID: Reference8255

Other Names: β-D-Glucopyranoside, 3-(4-hydroxyphenyl)-1-methylpropyl 6-O-[(4ξ)-α-L-threo-pentofuranosyl]-

Formula: C21H32O11

Spectral Data

4-(4-Hydroxyphenyl)-2-butanyl 6-O-[(4ξ)-α-L-threo-pentofuranosyl]-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 4
No. of Spectra 3012
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2018 1:05:59 PM
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Identificators

InChI InChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10?,13?,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1
InChI Key DJDISCKFJXDADJ-COUYJTLKSA-N
Canonical SMILES CC(CCC1=CC=C(C=C1)O)OC2C(C(C(C(O2)COC3C(C(C(O3)CO)O)O)O)O)O
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Other Names β-D-Glucopyranoside, 3-(4-hydroxyphenyl)-1-methylpropyl 6-O-[(4ξ)-α-L-threo-pentofuranosyl]-

In Other Databases

PubChem 23815371
ChemSpider 22912896