| SpectraBase Compound ID | 6pfZWooe0No |
|---|---|
| InChI | InChI=1S/C44H50O22/c1-56-25-14-21(6-10-24(25)46)7-11-32(47)65-42-40(55)38(53)31(63-44(42)66-34(49)13-9-23-17-28(59-4)36(51)29(18-23)60-5)20-61-43-41(39(54)37(52)30(19-45)62-43)64-33(48)12-8-22-15-26(57-2)35(50)27(16-22)58-3/h6-18,30-31,37-46,50-55H,19-20H2,1-5H3/b11-7+,12-8+,13-9+/t30-,31+,37-,38+,39+,40-,41-,42+,43-,44-/m0/s1 |
| InChIKey | AZUSMVXIHUPOCX-HQPDAFFESA-N |
| Mol Weight | 930.9 g/mol |
| Molecular Formula | C44H50O22 |
| Exact Mass | 930.279373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lx46gCioPGD |
|---|---|
| Name | 1,2'-DISINAPOYL-2-FERULOYLGENTIOBIOSE;6-O-BETA-D-(2'-O-SINAPOYL)-GLUCOPYRANOSYL-BETA-D-(1-O-SINAPOYL,2-O-FERULOYL)-GLUCOPYRANOSE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H50O22 |
| InChI | InChI=1S/C44H50O22/c1-56-25-14-21(6-10-24(25)46)7-11-32(47)65-42-40(55)38(53)31(63-44(42)66-34(49)13-9-23-17-28(59-4)36(51)29(18-23)60-5)20-61-43-41(39(54)37(52)30(19-45)62-43)64-33(48)12-8-22-15-26(57-2)35(50)27(16-22)58-3/h6-18,30-31,37-46,50-55H,19-20H2,1-5H3/b11-7+,12-8+,13-9+/t30-,31+,37-,38+,39+,40-,41-,42+,43-,44-/m0/s1 |
| InChIKey | AZUSMVXIHUPOCX-HQPDAFFESA-N |
| Literature Reference Author | K.R.PRICE,F.CASUSCELLI,I.J.COLQUHOUN,M.J.C.RHODES |
| Literature Reference Citation | PHYTOCHEM.,45,1683(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00246-X |
| Molecular Weight | 930.868 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSP401 |