![1-O-[(E)-(4''-O-THREO-GUAIACYL-GLYCEROL)-FERULOYL]-3-O-BETA-GALACTURONOPYRANOSYL-GLYCEROL](/api/spectrum/6dvvgeCngX9/structure.png?h=300&w=458 "1-O-[(E)-(4''-O-THREO-GUAIACYL-GLYCEROL)-FERULOYL]-3-O-BETA-GALACTURONOPYRANOSYL-GLYCEROL")
| SpectraBase Compound ID | Kh0wm5csYUw |
|---|---|
| InChI | InChI=1S/C29H36O16/c1-40-19-10-15(5-6-17(19)32)23(34)21(11-30)44-18-7-3-14(9-20(18)41-2)4-8-22(33)42-12-16(31)13-43-29-26(37)24(35)25(36)27(45-29)28(38)39/h3-10,16,21,23-27,29-32,34-37H,11-13H2,1-2H3,(H,38,39)/b8-4+/t16?,21?,23?,24-,25+,26+,27-,29+/m0/s1 |
| InChIKey | KAPAGFZZBVGHML-DMYYXEBVSA-N |
| Mol Weight | 640.6 g/mol |
| Molecular Formula | C29H36O16 |
| Exact Mass | 640.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dvvgeCngX9 |
|---|---|
| Name | 1-O-[(E)-(4''-O-THREO-GUAIACYL-GLYCEROL)-FERULOYL]-3-O-BETA-GALACTURONOPYRANOSYL-GLYCEROL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O16 |
| InChI | InChI=1S/C29H36O16/c1-40-19-10-15(5-6-17(19)32)23(34)21(11-30)44-18-7-3-14(9-20(18)41-2)4-8-22(33)42-12-16(31)13-43-29-26(37)24(35)25(36)27(45-29)28(38)39/h3-10,16,21,23-27,29-32,34-37H,11-13H2,1-2H3,(H,38,39)/b8-4+/t16?,21?,23?,24-,25+,26+,27-,29+/m0/s1 |
| InChIKey | KAPAGFZZBVGHML-DMYYXEBVSA-N |
| Literature Reference Author | A.STOCHMAL,I.KOWALSKA,B.JANDA,A.PERRONE,S.PIACENTE,W.OLESZEK |
| Literature Reference Citation | PHYTOCHEM.,70,1272(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.07.021 |
| Molecular Weight | 640.595 g/mol |
| Sample ID | 45584 |
| Solvent | CD3OD |