| SpectraBase Compound ID | 9D6ciHEgbMn |
|---|---|
| InChI | InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-10-4-12(38)18-14(5-10)50-29(30(22(18)42)55-33-28(48)25(45)21(41)17(8-36)54-33)9-1-2-13(11(37)3-9)51-32-27(47)24(44)20(40)16(7-35)53-32/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17+,19-,20-,21+,23+,24+,25-,26-,27-,28+,31-,32-,33-/m1/s1 |
| InChIKey | JWSWVKOHVSHWQA-FNEUDZCLSA-N |
| Mol Weight | 788.7 g/mol |
| Molecular Formula | C33H40O22 |
| Exact Mass | 788.201123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aZhCzn6Z1i |
|---|---|
| Name | QUERCETIN-3,7,4'-TRIGLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O22 |
| InChI | InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-10-4-12(38)18-14(5-10)50-29(30(22(18)42)55-33-28(48)25(45)21(41)17(8-36)54-33)9-1-2-13(11(37)3-9)51-32-27(47)24(44)20(40)16(7-35)53-32/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17+,19-,20-,21+,23+,24+,25-,26-,27-,28+,31-,32-,33-/m1/s1 |
| InChIKey | JWSWVKOHVSHWQA-FNEUDZCLSA-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 | 788.667 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS91 |