| SpectraBase Compound ID | 5pUH9irUvfW |
|---|---|
| InChI | InChI=1S/C35H39NO14/c1-4-18-20-12-22-19-13-24(39)23(38)11-17(19)7-8-36(22)33(44)21(20)15-47-34(18)50-35-32(31(43)30(42)27(14-37)48-35)49-28(40)6-5-16-9-25(45-2)29(41)26(10-16)46-3/h4-6,9-11,13,15,18,20,22,27,30-32,34-35,37-39,41-43H,1,7-8,12,14H2,2-3H3/b6-5+/t18-,20+,22-,27+,30+,31-,32+,34+,35-/m1/s1 |
| InChIKey | XJUWVEYHINVAMP-DTYIGAKFSA-N |
| Mol Weight | 697.7 g/mol |
| Molecular Formula | C35H39NO14 |
| Exact Mass | 697.237055 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Kc9Za9JsWk |
|---|---|
| Name | 2'-O-TRANS-SINAPOYLDEMETHYLALANGISIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H39NO14 |
| InChI | InChI=1S/C35H39NO14/c1-4-18-20-12-22-19-13-24(39)23(38)11-17(19)7-8-36(22)33(44)21(20)15-47-34(18)50-35-32(31(43)30(42)27(14-37)48-35)49-28(40)6-5-16-9-25(45-2)29(41)26(10-16)46-3/h4-6,9-11,13,15,18,20,22,27,30-32,34-35,37-39,41-43H,1,7-8,12,14H2,2-3H3/b6-5+/t18-,20+,22-,27+,30+,31-,32+,34+,35-/m1/s1 |
| InChIKey | XJUWVEYHINVAMP-DTYIGAKFSA-N |
| Literature Reference Author | A.ITOH,T.TANAHASHI,N.NAGAKURA |
| Literature Reference Citation | PHYTOCHEM.,41,651(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00668-0 |
| Molecular Weight | 697.693 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4008 |