| SpectraBase Compound ID | 4RCZT2Clkyb |
|---|---|
| InChI | InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25+,28-,29-,30-,32+,33-,34-,37+,38+,39-,40-,41-/m0/s1 |
| InChIKey | OFQWLDJQLTUOPM-SKUYWNKUSA-N |
| Mol Weight | 920.8 g/mol |
| Molecular Formula | C41H44O24 |
| Exact Mass | 920.222252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jqekh56zlO7 |
|---|---|
| Name | QUERCETIN-3-O-(2-E-CAFFEOYL)-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-7-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H44O24 |
| InChI | InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25+,28-,29-,30-,32+,33-,34-,37+,38+,39-,40-,41-/m0/s1 |
| InChIKey | OFQWLDJQLTUOPM-SKUYWNKUSA-N |
| Literature Reference Author | A.BRACA,J.M.PRIETO,N.D.TOMMASI,F.TOME,I.MORELLI |
| Literature Reference Citation | PHYTOCHEM.,65,2921(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.07.013 |
| Molecular Weight | 920.786 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30079 |