| SpectraBase Compound ID | 2qy3JW2tCYV |
|---|---|
| InChI | InChI=1S/C31H40O17/c1-12-17(8-15-16(28(41)42)11-43-29(21(12)15)48-31-27(40)25(38)23(36)19(10-33)47-31)45-20(34)7-4-13-2-5-14(6-3-13)44-30-26(39)24(37)22(35)18(9-32)46-30/h2-7,11-12,15,17-19,21-27,29-33,35-40H,8-10H2,1H3,(H,41,42)/b7-4+/t12-,15?,17-,18+,19-,21?,22+,23-,24-,25+,26+,27-,29-,30+,31+/m0/s1 |
| InChIKey | IZDNHCQZHNEUGA-RYWDKOGVSA-N |
| Mol Weight | 684.6 g/mol |
| Molecular Formula | C31H40O17 |
| Exact Mass | 684.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F8NxqWXZvWF |
|---|---|
| Name | 7-O-(4''-O-GLUCOSYL)-PARA-COUMAROYL-LOGANIC-ACID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O17 |
| InChI | InChI=1S/C31H40O17/c1-12-17(8-15-16(28(41)42)11-43-29(21(12)15)48-31-27(40)25(38)23(36)19(10-33)47-31)45-20(34)7-4-13-2-5-14(6-3-13)44-30-26(39)24(37)22(35)18(9-32)46-30/h2-7,11-12,15,17-19,21-27,29-33,35-40H,8-10H2,1H3,(H,41,42)/b7-4+/t12-,15?,17-,18+,19-,21?,22+,23-,24-,25+,26+,27-,29-,30+,31+/m0/s1 |
| InChIKey | IZDNHCQZHNEUGA-RYWDKOGVSA-N |
| Literature Reference Author | C.BERGERON,A.MARSTON,R.GAUTHIER,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,44,633(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00636-X |
| Molecular Weight | 684.648 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPA200 |