| SpectraBase Compound ID | HNdlOJgi1zY |
|---|---|
| InChI | InChI=1S/C33H40O19/c1-45-17-9-14(8-16(35)24(17)38)4-7-23(37)52-32-30(44)28(42)27(41)21(50-32)13-48-33-31(29(43)26(40)20(12-34)49-33)51-22(36)6-5-15-10-18(46-2)25(39)19(11-15)47-3/h4-11,20-21,26-35,38-44H,12-13H2,1-3H3/b6-5+,7-4+/t20-,21+,26-,27+,28-,29+,30+,31-,32-,33-/m1/s1 |
| InChIKey | GKSONHGXTXBVHW-HGSIQJGESA-N |
| Mol Weight | 740.7 g/mol |
| Molecular Formula | C33H40O19 |
| Exact Mass | 740.216379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7aSqph4zT1 |
|---|---|
| Name | 1-(3'',4''-DIHYDROXY-5''-METHOXY)-O-TRANS-CINNAMOYL-2'-O-TRANS-SINAPOYL-GENTIOBIOSE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O19 |
| InChI | InChI=1S/C33H40O19/c1-45-17-9-14(8-16(35)24(17)38)4-7-23(37)52-32-30(44)28(42)27(41)21(50-32)13-48-33-31(29(43)26(40)20(12-34)49-33)51-22(36)6-5-15-10-18(46-2)25(39)19(11-15)47-3/h4-11,20-21,26-35,38-44H,12-13H2,1-3H3/b6-5+,7-4+/t20-,21+,26-,27+,28-,29+,30+,31-,32-,33-/m1/s1 |
| InChIKey | GKSONHGXTXBVHW-HGSIQJGESA-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 | 740.669 g/mol |
| Sample ID | 43210 |
| Solvent | CD3OD |