4-{[(3S,4R,5S)-3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenyl β-D-glucopyranoside
8139
Reference
4-{[(3S,4R,5S)-3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenyl β-D-glucopyranoside Structure
Systematic / IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[[(3S,4R,5S)-3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
ID: Reference8139
Other Names: β-D-Glucopyranoside, 2-methoxy-4-[[(3S,4R,5S)-tetrahydro-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-3-furanyl]methyl]phenyl
Formula: C26H34O12
Spectral Data
4-{[(3S,4R,5S)-3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-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 | 1 |
| No. of Spectra | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/8/2018 10:12:22 AM |
Identificators
| InChI | InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)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 | SXGSYHDLSPXCMU-CTQTXEDXSA-N |
| Canonical SMILES | COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranoside, 2-methoxy-4-[[(3S,4R,5S)-tetrahydro-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-3-furanyl]methyl]phenyl |