4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-(β-D-glucopyranosyloxy)phenyl β-D-glucopyranoside
8072
Reference
4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-(β-D-glucopyranosyloxy)phenyl β-D-glucopyranoside Structure
Systematic / IUPAC Name: 2-(3,4-Bis{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,7-dihydroxychromen-4-one
ID: Reference8072
Other Names: 4H-1-Benzopyran-4-one, 2-[3,4-bis(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-
Formula: C27H30O16
Spectral Data
4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-(β-D-glucopyranosyloxy)phenyl 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 | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/14/2018 10:54:54 AM |
Identificators
| InChI | InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)40-13-2-1-9(14-6-12(32)19-11(31)4-10(30)5-16(19)39-14)3-15(13)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
| InChI Key | XKAYFELZCPZDEK-IPOZFMEPSA-N |
| Canonical SMILES | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| CAS | |
| Splash | |
| Other Names | 4H-1-Benzopyran-4-one, 2-[3,4-bis(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy- |