| SpectraBase Compound ID | ExMSJMv8iXy |
|---|---|
| InChI | InChI=1S/C39H54O19/c1-20-29(42)30(43)31(44)37(55-20)58-34-32(45)36(52-14-13-22-8-11-24(48-3)26(16-22)50-5)56-27(17-53-38-35(51-6)39(46,18-40)19-54-38)33(34)57-28(41)12-9-21-7-10-23(47-2)25(15-21)49-4/h7-12,15-16,20,27,29-38,40,42-46H,13-14,17-19H2,1-6H3/b12-9+/t20-,27-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,39+/m0/s1 |
| InChIKey | VGUUSTCFLNYGIL-OXIJOXOPSA-N |
| Mol Weight | 826.8 g/mol |
| Molecular Formula | C39H54O19 |
| Exact Mass | 826.325929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5umpTKBEEo0 |
|---|---|
| Name | FORSYTHOSIDE_6_TETRAMETHYLETHER;BETA-(3,4-DIMETHOXYPHENYL)-ETHYL-4-(6-O,7-O-DIMETHYLCAFFEOYL)-6-BETA-(2-O-METHYL)-APIOSYL-3-ALPHA-RHAMNOSYLGLUCO |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O19 |
| InChI | InChI=1S/C39H54O19/c1-20-29(42)30(43)31(44)37(55-20)58-34-32(45)36(52-14-13-22-8-11-24(48-3)26(16-22)50-5)56-27(17-53-38-35(51-6)39(46,18-40)19-54-38)33(34)57-28(41)12-9-21-7-10-23(47-2)25(15-21)49-4/h7-12,15-16,20,27,29-38,40,42-46H,13-14,17-19H2,1-6H3/b12-9+/t20-,27-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,39+/m0/s1 |
| InChIKey | VGUUSTCFLNYGIL-OXIJOXOPSA-N |
| Literature Reference Author | K.ENDO,K.TAKAHASHI |
| Literature Reference Citation | HETEROCYCLES,30,291(1990) |
| Literature Reference DOI | 10.3987/COM-89-S36 |
| Molecular Weight | 826.846 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ980 |