| SpectraBase Compound ID | JaZgwIuiecz |
|---|---|
| InChI | InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15+,17-,18+,20+,21-,22-,23+,26-,27-/m1/s1 |
| InChIKey | RPVIQWDFJPYNJM-JKZSWHGUSA-N |
| Mol Weight | 626.52 g/mol |
| Molecular Formula | C27H30O17 |
| Exact Mass | 626.148299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlUEwgsOt4X |
|---|---|
| Name | QUERCETIN-3,4'-O-BETA-DIGLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O17 |
| InChI | InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15+,17-,18+,20+,21-,22-,23+,26-,27-/m1/s1 |
| InChIKey | RPVIQWDFJPYNJM-JKZSWHGUSA-N |
| Literature Reference Author | T.FOSSEN,A.T.PEDERSEN,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,47,281(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00423-8 |
| Molecular Weight | 626.525 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS90 |