(2E)-3-[4-({2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl}oxy)-3-methoxyphenyl]acrylic acid
8074
Reference
(2E)-3-[4-({2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl}oxy)-3-methoxyphenyl]acrylic acid Structure
Systematic / IUPAC Name: (E)-3-(4-{(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy-3-methoxyphenyl)prop-2-enoic acid
ID: Reference8074
Other Names: 2-Propenoic acid, 3-[3-methoxy-4-({2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl}oxy)phenyl], (2E)-
Formula: C21H28O13
Spectral Data
(2E)-3-[4-({2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl}oxy)-3-methoxyphenyl]acrylic acid 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 | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/14/2018 12:43:03 PM |
Identificators
| InChI | InChI=1S/C21H28O13/c1-30-12-6-10(3-5-14(24)25)2-4-11(12)32-19-17(16(27)15(26)13(7-22)33-19)34-20-18(28)21(29,8-23)9-31-20/h2-6,13,15-20,22-23,26-29H,7-9H2,1H3,(H,24,25)/b5-3+/t13-,15-,16+,17-,18+,19-,20+,21-/m1/s1 |
| InChI Key | WJKBOZUMKGXZHT-ODBGGHPZSA-N |
| Canonical SMILES | COC1=C(C=CC(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(CO)O)O |
| CAS | |
| Splash | |
| Other Names | 2-Propenoic acid, 3-[3-methoxy-4-({2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl}oxy)phenyl], (2E)- |