| SpectraBase Compound ID | 7W1wKT9MyAH |
|---|---|
| InChI | InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-30(43)27(40)21(13-35)50-34(32)49-14-22-28(41)29(42)31(44)33(51-22)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5+,8-6+/t21-,22+,27-,28+,29-,30+,31+,32-,33-,34-/m1/s1 |
| InChIKey | FXDQDMASXJUNNI-NDWKQIMZSA-N |
| Mol Weight | 754.7 g/mol |
| Molecular Formula | C34H42O19 |
| Exact Mass | 754.232029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1boiTcESQV |
|---|---|
| Name | 1,2'-DI-O-TRANS-SINAPOYL-GENTIOBIOSE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H42O19 |
| InChI | InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-30(43)27(40)21(13-35)50-34(32)49-14-22-28(41)29(42)31(44)33(51-22)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5+,8-6+/t21-,22+,27-,28+,29-,30+,31+,32-,33-,34-/m1/s1 |
| InChIKey | FXDQDMASXJUNNI-NDWKQIMZSA-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 | 754.696 g/mol |
| Sample ID | 43211 |
| Solvent | CD3OD |