| SpectraBase Compound ID | KK3wnyWlrOA |
|---|---|
| InChI | InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23-,28-,29-,30+,31-,32+,33-,34+/m0/s1 |
| InChIKey | FHIJMQWMMZEFBL-BCPJLJENSA-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 | L0HfywLq09l |
|---|---|
| Name | BETA-D-(3-0-SINAPOYL)-FRUCTOFURANOSYL-ALPHA-D-(6-0-SINAPOYL)-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H42O19 |
| InChI | InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23-,28-,29-,30+,31-,32+,33-,34+/m0/s1 |
| InChIKey | FHIJMQWMMZEFBL-BCPJLJENSA-N |
| Literature Reference Author | A.BASHIR,M.HAMBURGER,J.D.MSONTHI,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,32,741(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95164-1 |
| Molecular Weight | 754.696 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI8813 |