| SpectraBase Compound ID | 957CSuR4RdW |
|---|---|
| InChI | InChI=1S/C33H40O18/c1-44-18-10-15(4-7-17(18)35)5-8-23(36)50-31-29(42)27(40)22(14-47-32-30(43)28(41)26(39)21(13-34)48-32)49-33(31)51-24(37)9-6-16-11-19(45-2)25(38)20(12-16)46-3/h4-12,21-22,26-35,38-43H,13-14H2,1-3H3/b8-5+,9-6+/t21-,22+,26-,27+,28+,29-,30-,31+,32-,33-/m0/s1 |
| InChIKey | QYKVHEQRAXPEEL-YATRAHMWSA-N |
| Mol Weight | 724.7 g/mol |
| Molecular Formula | C33H40O18 |
| Exact Mass | 724.221464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uUjMmcaq8O |
|---|---|
| Name | 1-SINAPOYL-2-FERULOYLGENTIOBIOSE;6-O-BETA-D-(2'-O-SINAPOYL)-GLUCOPYRANOSYL-BETA-D-(1-O-SINAPOYL,2-O-FERULOYL)-GLUCOPYRANOSE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O18 |
| InChI | InChI=1S/C33H40O18/c1-44-18-10-15(4-7-17(18)35)5-8-23(36)50-31-29(42)27(40)22(14-47-32-30(43)28(41)26(39)21(13-34)48-32)49-33(31)51-24(37)9-6-16-11-19(45-2)25(38)20(12-16)46-3/h4-12,21-22,26-35,38-43H,13-14H2,1-3H3/b8-5+,9-6+/t21-,22+,26-,27+,28+,29-,30-,31+,32-,33-/m0/s1 |
| InChIKey | QYKVHEQRAXPEEL-YATRAHMWSA-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 | 724.670 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSP402 |