| SpectraBase Compound ID | FL3vXHDexTV |
|---|---|
| InChI | InChI=1S/C33H40O18/c1-44-18-10-15(4-7-17(18)35)5-8-24(37)51-32-30(43)28(41)27(40)22(49-32)14-47-33-31(29(42)26(39)21(13-34)48-33)50-23(36)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-/m1/s1 |
| InChIKey | WYDJOXFUJHZWDE-VJWQIUSUSA-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 | 5N2BRLSP0c8 |
|---|---|
| Name | 1-O-TRANS-FERULOYL-2'-O-TRANS-SINAPOYL-GENTIOBIOSE |
| Compound Number | 3 |
| 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)5-8-24(37)51-32-30(43)28(41)27(40)22(49-32)14-47-33-31(29(42)26(39)21(13-34)48-33)50-23(36)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-/m1/s1 |
| InChIKey | WYDJOXFUJHZWDE-VJWQIUSUSA-N |
| Literature Reference Author | T.HOSOYA,Y.S.YUN,A.KUNUGI |
| Literature Reference Citation | PHYTOCHEM.,69,827(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.08.021 |
| Molecular Weight | 724.670 g/mol |
| Sample ID | 43212 |
| Solvent | CD3OD |