Methyl (2S,3Z,4S)-2-(β-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate
Methyl (2S,3Z,4S)-2-(β-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate Structure
Systematic / IUPAC Name: Methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-{2-[(E)-3-phenylprop-2-enoyl]oxyethylidene}-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
ID: Reference7986
Other Names: 2H-Pyran-4-acetic acid, 2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-3-(2-{[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy}ethylidene)-, methyl ester, (2S,3Z,4S)-
Formula: C27H32O13
Spectral Data
Methyl (2S,3Z,4S)-2-(β-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate 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 |
| No. of Spectral Trees | 1 |
| No. of Spectra | 315 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/21/2018 1:15:46 PM |
Identificators
| InChI | InChI=1S/C27H32O13/c1-35-21(30)12-17-16(10-11-37-20(29)9-8-15-6-4-3-5-7-15)26(38-14-18(17)25(34)36-2)40-27-24(33)23(32)22(31)19(13-28)39-27/h3-10,14,17,19,22-24,26-28,31-33H,11-13H2,1-2H3/b9-8+,16-10-/t17-,19+,22+,23-,24+,26-,27-/m0/s1 |
| InChI Key | QBKMGAJNGCTGFA-NVNVVJOKSA-N |
| Canonical SMILES | COC(=O)CC1C(=COC(C1=CCOC(=O)C=CC2=CC=CC=C2)OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC |
| CAS | |
| Splash | |
| Other Names | 2H-Pyran-4-acetic acid, 2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-3-(2-{[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy}ethylidene)-, methyl ester, (2S,3Z,4S)- |