| SpectraBase Compound ID | 8BJao1uiVfe |
|---|---|
| InChI | InChI=1S/C42H46O25/c43-11-23-28(52)32(56)34(58)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)38(31(27)55)66-42-39(33(57)29(53)24(12-44)64-42)67-41-35(59)37(30(54)25(13-45)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,37,39-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28-,29+,30+,32+,33-,34-,35+,37-,39+,40-,41-,42-/m1/s1 |
| InChIKey | LIVJXZFTLVHPTP-MHHFPVLJSA-N |
| Mol Weight | 950.8 g/mol |
| Molecular Formula | C42H46O25 |
| Exact Mass | 950.232817 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GgWWbGYWJaT |
|---|---|
| Name | QUERCETIN-3-CAFFEOYL-SOPHOROSIDE-7-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O25 |
| InChI | InChI=1S/C42H46O25/c43-11-23-28(52)32(56)34(58)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)38(31(27)55)66-42-39(33(57)29(53)24(12-44)64-42)67-41-35(59)37(30(54)25(13-45)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,37,39-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25+,28-,29+,30+,32+,33-,34-,35+,37-,39+,40-,41-,42-/m1/s1 |
| InChIKey | LIVJXZFTLVHPTP-MHHFPVLJSA-N |
| Literature Reference Author | S.J.BLOOR,J.M.BRADLEY,D.H.LEWIS,K.M.DAVIES |
| Literature Reference Citation | PHYTOCHEM.,49,1427(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00081-8 |
| Molecular Weight | 950.812 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU598 |