| SpectraBase Compound ID | IWt8OhBJbQ6 |
|---|---|
| InChI | InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21-,23+,26-,28+/m0/s1 |
| InChIKey | PXGWEUQZDRUMRE-LYZKBAGSSA-N |
| Mol Weight | 616.48 g/mol |
| Molecular Formula | C28H24O16 |
| Exact Mass | 616.106435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 622e5Qvt4rM |
|---|---|
| Name | QUERCETIN_3-O-(2''-O-GALLOYL)-GLUCOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H24O16 |
| InChI | InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21-,23+,26-,28+/m0/s1 |
| InChIKey | PXGWEUQZDRUMRE-LYZKBAGSSA-N |
| Literature Reference Author | G.PAKULSKI,J.BUDZIANOWSKI |
| Literature Reference Citation | PLANTA.MED.,62,95(1996) |
| Literature Reference DOI | 10.1055/s-2006-957824 |
| Molecular Weight | 616.489 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UIAP806 |