4-Allyl-2-(β-D-glucopyranosyloxy)phenyl β-D-glucopyranoside

enlarge

Systematic / IUPAC Name: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[4-prop-2-enyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol

ID: Reference8196

Other Names: β-D-Glucopyranoside, 2-(β-D-glucopyranosyloxy)-4-(2-propen-1-yl)phenyl

Formula: C21H30O12

Spectral Data

4-Allyl-2-(β-D-glucopyranosyloxy)phenyl β-D-glucopyranoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/10/2018 6:11:39 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H30O12/c1-2-3-9-4-5-10(30-20-18(28)16(26)14(24)12(7-22)32-20)11(6-9)31-21-19(29)17(27)15(25)13(8-23)33-21/h2,4-6,12-29H,1,3,7-8H2/t12-,13-,14-,15-,16+,17+,18-,19-,20-,21-/m1/s1
InChI Key SFQLDKSMEHBZRN-LWZURRPWSA-N
Canonical SMILES C=CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O
CAS
Splash
Other Names β-D-Glucopyranoside, 2-(β-D-glucopyranosyloxy)-4-(2-propen-1-yl)phenyl

In Other Databases

ChemSpider 22913447
PubChem 23757231
ChEMBL CHEMBL3326613