| SpectraBase Compound ID | xu08Bu2iHQ |
|---|---|
| InChI | InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-30(43)28(41)22(14-49-33-31(44)29(42)27(40)21(13-35)50-33)51-34(32)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-/m0/s1 |
| InChIKey | MBGNTECDWBKCKH-HDRSIGJESA-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 | GfqiCdPKkZB |
|---|---|
| Name | 1,2-DISINAPOYLGENTIOBIOSE;6-O-BETA-D-GLUCOPYRANOSYL-BETA-D-(1-O-SINAPOYL,2-O-SINAPOYL)-GLUCOPYRANOSE |
| Compound Number | 4 |
| 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)28(41)22(14-49-33-31(44)29(42)27(40)21(13-35)50-33)51-34(32)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-/m0/s1 |
| InChIKey | MBGNTECDWBKCKH-HDRSIGJESA-N |
| Literature Reference Author | K.R.PRICE,F.CASUSCELLI,I.J.COLQUHOUN,M.J.C.RHODES |
| Literature Reference Citation | PHYTOCHEM.,45,1683(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00246-X |
| Molecular Weight | 754.696 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSP404 |