| SpectraBase Compound ID | 1Yxm52c4jzj |
|---|---|
| InChI | InChI=1S/C36H36O20/c37-11-22-26(46)29(49)33(54-24(45)6-2-13-1-4-16(40)18(42)7-13)35(52-22)56-34-30(50)27(47)23(12-38)53-36(34)55-32-28(48)25-20(44)9-15(39)10-21(25)51-31(32)14-3-5-17(41)19(43)8-14/h1-10,22-23,26-27,29-30,33-44,46-47,49-50H,11-12H2/b6-2+/t22-,23-,26-,27-,29+,30+,33-,34-,35+,36+/m1/s1 |
| InChIKey | NWOCYFGKUMMLPD-ZJNIXLGPSA-N |
| Mol Weight | 788.7 g/mol |
| Molecular Formula | C36H36O20 |
| Exact Mass | 788.179994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GbpQDAIXi8S |
|---|---|
| Name | QUERCETIN-3-(2'''-CAFFEYLSOPHOROSIDE);QUERCETIN-3-(2'''-O-(2'''-TRANS-CAFFEYL)-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H36O20 |
| InChI | InChI=1S/C36H36O20/c37-11-22-26(46)29(49)33(54-24(45)6-2-13-1-4-16(40)18(42)7-13)35(52-22)56-34-30(50)27(47)23(12-38)53-36(34)55-32-28(48)25-20(44)9-15(39)10-21(25)51-31(32)14-3-5-17(41)19(43)8-14/h1-10,22-23,26-27,29-30,33-44,46-47,49-50H,11-12H2/b6-2+/t22-,23-,26-,27-,29+,30+,33-,34-,35+,36+/m1/s1 |
| InChIKey | NWOCYFGKUMMLPD-ZJNIXLGPSA-N |
| Literature Reference Author | K.GLUCHOFF-FIASSON,J.L.FIASSON,H.WATON |
| Literature Reference Citation | PHYTOCHEM.,45,1063(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00091-5 |
| Molecular Weight | 788.670 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSP430 |