(2S,3Z,4S)-2-(β-D-Glucopyranosyloxy)-3-(2-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}ethylidene)-4-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
(2S,3Z,4S)-2-(β-D-Glucopyranosyloxy)-3-(2-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}ethylidene)-4-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid Structure
Systematic / IUPAC Name: (4S,5Z,6S)-5-[2-[(E)-3-(4-Hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
ID: Reference8169
Other Names: 2H-Pyran-4-acetic acid, 5-carboxy-2-(β-D-glucopyranosyloxy)-3,4-dihydro-3-[2-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethylidene]-, α-methyl ester, (2S,3Z,4S)-
Formula: C26H30O14
Spectral Data
(2S,3Z,4S)-2-(β-D-Glucopyranosyloxy)-3-(2-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}ethylidene)-4-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylic 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 | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/23/2018 6:35:55 AM |
Identificators
| InChI | InChI=1S/C26H30O14/c1-36-20(30)10-16-15(8-9-37-19(29)7-4-13-2-5-14(28)6-3-13)25(38-12-17(16)24(34)35)40-26-23(33)22(32)21(31)18(11-27)39-26/h2-8,12,16,18,21-23,25-28,31-33H,9-11H2,1H3,(H,34,35)/b7-4+,15-8-/t16-,18+,21+,22-,23+,25-,26-/m0/s1 |
| InChI Key | MGEVYVDQMTWJNV-HOPHSATRSA-N |
| Canonical SMILES | COC(=O)CC1C(=COC(C1=CCOC(=O)C=CC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O |
| CAS | |
| Splash | |
| Other Names | 2H-Pyran-4-acetic acid, 5-carboxy-2-(β-D-glucopyranosyloxy)-3,4-dihydro-3-[2-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethylidene]-, α-methyl ester, (2S,3Z,4S)- |