| SpectraBase Compound ID | 4hStVcRBSUG |
|---|---|
| InChI | InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(34(56)29(51)24(12-43)63-42)66-41-36(58)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40-,41-,42-/m0/s1 |
| InChIKey | TZPMVVDDEWYHIB-VWXBVBANSA-N |
| Mol Weight | 934.8 g/mol |
| Molecular Formula | C42H46O24 |
| Exact Mass | 934.237902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24t03gnuFqE |
|---|---|
| Name | QUERCETIN-3-O-(6-TRANS-CAFFEOYL)-BETA-GLUCOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSIDE-7-O-ALPHA-RHAMNOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O24 |
| InChI | InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(34(56)29(51)24(12-43)63-42)66-41-36(58)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40-,41-,42-/m0/s1 |
| InChIKey | TZPMVVDDEWYHIB-VWXBVBANSA-N |
| Literature Reference Author | G.FICO,A.BRACA,A.R.BILIA,F.TOME,I.MORELLI |
| Literature Reference Citation | PLANTA.MED.,67,287(2001) |
| Literature Reference DOI | 10.1055/s-2001-11994 |
| Molecular Weight | 934.813 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP1536 |