| SpectraBase Compound ID | 1V6IxKIX2A5 |
|---|---|
| InChI | InChI=1S/C32H38O18/c1-44-18-10-15(11-19(45-2)24(18)38)5-8-22(36)49-30-28(42)25(39)20(12-33)47-32(30)46-13-21-26(40)27(41)29(43)31(48-21)50-23(37)7-4-14-3-6-16(34)17(35)9-14/h3-11,20-21,25-35,38-43H,12-13H2,1-2H3/b7-4+,8-5+/t20-,21+,25-,26+,27-,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey | FUETYOGYMBALQW-VEKJNGFYSA-N |
| Mol Weight | 710.6 g/mol |
| Molecular Formula | C32H38O18 |
| Exact Mass | 710.205814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYzr2cH9lYh |
|---|---|
| Name | 1-O-TRANS-CAFFEOYL-2'-O-TRANS-SINAPOYL-GENTIOBIOSE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H38O18 |
| InChI | InChI=1S/C32H38O18/c1-44-18-10-15(11-19(45-2)24(18)38)5-8-22(36)49-30-28(42)25(39)20(12-33)47-32(30)46-13-21-26(40)27(41)29(43)31(48-21)50-23(37)7-4-14-3-6-16(34)17(35)9-14/h3-11,20-21,25-35,38-43H,12-13H2,1-2H3/b7-4+,8-5+/t20-,21+,25-,26+,27-,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey | FUETYOGYMBALQW-VEKJNGFYSA-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 | 710.643 g/mol |
| Sample ID | 43213 |
| Solvent | CD3OD |