2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]hexopyranoside
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]hexopyranoside Structure
Systematic / IUPAC Name: [6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
ID: Reference8216
Other Names: 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxyhexopyranosyl)-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
Formula: C36H36O18
Spectral Data
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]hexopyranoside 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 | 9/27/2018 5:44:56 AM |
Identificators
| InChI | InChI=1S/C36H36O18/c1-14-26(43)28(45)30(47)35(50-14)49-13-23-33(53-24(42)9-4-15-2-6-17(37)7-3-15)29(46)31(48)36(52-23)54-34-27(44)25-21(41)11-18(38)12-22(25)51-32(34)16-5-8-19(39)20(40)10-16/h2-12,14,23,26,28-31,33,35-41,43,45-48H,13H2,1H3/b9-4+ |
| InChI Key | HLWFQXZBFQLASS-RUDMXATFSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)OC(=O)C=CC6=CC=C(C=C6)O)O)O)O |
| CAS | |
| Splash | |
| Other Names | 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxyhexopyranosyl)-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- |