Systematic / IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[(2S,3R,4S)-4-Hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
ID: Reference8142
Other Names: β-D-Glucopyranoside, 2-methoxy-4-[(2S,3R,4S)-tetrahydro-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-furanyl]phenyl
Formula: C26H34O12
4-[(2S,3R,4S)-4-Hydroxy-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2-methoxyphenyl β-D-glucopyranoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 8/9/2018 10:00:02 AM |
InChI | InChI=1S/C26H34O12/c1-34-18-7-13(3-5-16(18)29)9-26(33)12-36-24(15(26)10-27)14-4-6-17(19(8-14)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3/t15-,20-,21-,22+,23-,24-,25-,26-/m1/s1 |
InChI Key | OXHVZEZYYQQCRJ-CTQTXEDXSA-N |
Canonical SMILES | COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)O |
CAS | |
Splash | |
Other Names | β-D-Glucopyranoside, 2-methoxy-4-[(2S,3R,4S)-tetrahydro-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-furanyl]phenyl |