| SpectraBase Compound ID | DEuejbU7F8I |
|---|---|
| InChI | InChI=1S/C36H36O19/c37-12-22-26(43)29(46)31(48)35(53-22)51-17-10-20(41)25-21(11-17)52-33(15-4-7-18(39)19(40)9-15)34(28(25)45)55-36-32(49)30(47)27(44)23(54-36)13-50-24(42)8-3-14-1-5-16(38)6-2-14/h1-11,22-23,26-27,29-32,35-41,43-44,46-49H,12-13H2/b8-3+/t22-,23+,26-,27+,29+,30-,31-,32+,35-,36-/m0/s1 |
| InChIKey | VASHBWYFPVZWGX-RLTBNMOOSA-N |
| Mol Weight | 772.7 g/mol |
| Molecular Formula | C36H36O19 |
| Exact Mass | 772.185079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Gtfin2oJbR |
|---|---|
| Name | QUERCETIN-3-O-BETA-(6''-E-PARA-COUMAROYLGLUCOPYRANOSIDE)-7-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H36O19 |
| InChI | InChI=1S/C36H36O19/c37-12-22-26(43)29(46)31(48)35(53-22)51-17-10-20(41)25-21(11-17)52-33(15-4-7-18(39)19(40)9-15)34(28(25)45)55-36-32(49)30(47)27(44)23(54-36)13-50-24(42)8-3-14-1-5-16(38)6-2-14/h1-11,22-23,26-27,29-32,35-41,43-44,46-49H,12-13H2/b8-3+/t22-,23+,26-,27+,29+,30-,31-,32+,35-,36-/m0/s1 |
| InChIKey | VASHBWYFPVZWGX-RLTBNMOOSA-N |
| Literature Reference Author | A.M.D.E.MOUSALLAMI,M.S.AFIFI,S.A.M.HUSSEIN |
| Literature Reference Citation | PHYTOCHEM.,60,807(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00177-2 |
| Molecular Weight | 772.670 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS1834 |