![5-O-[[5''-O-(E)-(4'''-O-THREO-GUAIACYL-GLYCEROL)-FERULOYL]-BETA-APIOFURANOSYL-(1->2)-BETA-XYLOPYRANOSYL]-GENTISIC-ACID](/api/spectrum/FXOXtIpIiaG/structure.png?h=300&w=458 "5-O-[[5''-O-(E)-(4'''-O-THREO-GUAIACYL-GLYCEROL)-FERULOYL]-BETA-APIOFURANOSYL-(1->2)-BETA-XYLOPYRANOSYL]-GENTISIC-ACID")
| SpectraBase Compound ID | 3VViYHk82gc |
|---|---|
| InChI | InChI=1S/C37H42O19/c1-49-26-12-19(5-7-23(26)40)30(43)28(14-38)55-25-9-3-18(11-27(25)50-2)4-10-29(42)52-16-37(48)17-53-36(33(37)45)56-32-31(44)24(41)15-51-35(32)54-20-6-8-22(39)21(13-20)34(46)47/h3-13,24,28,30-33,35-36,38-41,43-45,48H,14-17H2,1-2H3,(H,46,47)/b10-4+/t24-,28?,30?,31+,32-,33+,35+,36+,37-/m1/s1 |
| InChIKey | DQUIAEQXPXEISI-YUQZMJHKSA-N |
| Mol Weight | 790.7 g/mol |
| Molecular Formula | C37H42O19 |
| Exact Mass | 790.232029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXOXtIpIiaG |
|---|---|
| Name | 5-O-[[5''-O-(E)-(4'''-O-THREO-GUAIACYL-GLYCEROL)-FERULOYL]-BETA-APIOFURANOSYL-(1->2)-BETA-XYLOPYRANOSYL]-GENTISIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H42O19 |
| InChI | InChI=1S/C37H42O19/c1-49-26-12-19(5-7-23(26)40)30(43)28(14-38)55-25-9-3-18(11-27(25)50-2)4-10-29(42)52-16-37(48)17-53-36(33(37)45)56-32-31(44)24(41)15-51-35(32)54-20-6-8-22(39)21(13-20)34(46)47/h3-13,24,28,30-33,35-36,38-41,43-45,48H,14-17H2,1-2H3,(H,46,47)/b10-4+/t24-,28?,30?,31+,32-,33+,35+,36+,37-/m1/s1 |
| InChIKey | DQUIAEQXPXEISI-YUQZMJHKSA-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 | 790.729 g/mol |
| Sample ID | 45582 |
| Solvent | CD3OD |