| SpectraBase Compound ID | 4e9SenXKTks |
|---|---|
| InChI | InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15-,16-,17-,19-,20+,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1 |
| InChIKey | IQBMWEYFKNVACH-WYXVZEBFSA-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 | 13F9EmPiaRq |
|---|---|
| Name | QUERCETIN-3-O-BETA-GLUCOPYRANOSYL-(1->2)-O-BETA-GALACTOPYRANOSYL-(1->2)-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| 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(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15-,16-,17-,19-,20+,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1 |
| InChIKey | IQBMWEYFKNVACH-WYXVZEBFSA-N |
| Literature Reference Author | I.MERFORT,V.WRAY,H.H.BARAKAT,S.A.M.HUSSEIN,M.A.M.NAWWAR,G.WI LLUHN |
| Literature Reference Citation | PHYTOCHEM.,46,359(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00296-3 |
| Molecular Weight | 788.667 g/mol |
| Sample ID | 44874 |
| Solvent | CD3OD |