4-[(2S,3S,4S)-4-[4-(β-D-Glucopyranosyloxy)-3-methoxybenzyl]-3-(hydroxymethyl)tetrahydro-2-furanyl]-2-methoxyphenyl β-D-glucopyranoside
4-[(2S,3S,4S)-4-[4-(β-D-Glucopyranosyloxy)-3-methoxybenzyl]-3-(hydroxymethyl)tetrahydro-2-furanyl]-2-methoxyphenyl β-D-glucopyranoside Structure
Systematic / IUPAC Name: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[4-[[(3S,4S)-4-(hydroxymethyl)-5-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]oxane-3,4,5-triol
ID: Reference8236
Other Names: β-D-Glucopyranoside, 4-[(2S,3S,4S)-4-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]tetrahydro-3-(hydroxymethyl)-2-furanyl]-2-methoxyphenyl
Formula: C32H44O16
Spectral Data
4-[(2S,3S,4S)-4-[4-(β-D-Glucopyranosyloxy)-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 4 |
| No. of Spectra | 3193 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/12/2018 6:54:44 AM |
Identificators
| InChI | InChI=1S/C32H44O16/c1-42-20-8-14(3-5-18(20)45-31-28(40)26(38)24(36)22(11-34)47-31)7-16-13-44-30(17(16)10-33)15-4-6-19(21(9-15)43-2)46-32-29(41)27(39)25(37)23(12-35)48-32/h3-6,8-9,16-17,22-41H,7,10-13H2,1-2H3/t16-,17-,22-,23-,24-,25-,26+,27+,28-,29-,30?,31-,32-/m1/s1 |
| InChI Key | PBLWZMSRSJTRHJ-HVZZXTKSSA-N |
| Canonical SMILES | COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC5C(C(C(C(O5)CO)O)O)O |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranoside, 4-[(2S,3S,4S)-4-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]tetrahydro-3-(hydroxymethyl)-2-furanyl]-2-methoxyphenyl |