| SpectraBase Compound ID | LSuywUEJj5Y |
|---|---|
| InChI | InChI=1S/C21H25NO10/c1-29-15-8-12(2-4-14(15)24)3-5-17(25)31-11-13(9-22)6-7-30-21-20(28)19(27)18(26)16(10-23)32-21/h2-6,8,16,18-21,23-24,26-28H,7,10-11H2,1H3/b5-3+,13-6+/t16-,18-,19+,20-,21-/m0/s1 |
| InChIKey | ZZGPJESHTGYKSG-FLTYALHOSA-N |
| Mol Weight | 451.43 g/mol |
| Molecular Formula | C21H25NO10 |
| Exact Mass | 451.147846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ebk7bDM6hhZ |
|---|---|
| Name | NIGRUMIN-5-FERULATE;2-TRANS-FERULOYLOXYMETHYL-4-BETA-D-GLUCOPYRANOSYLOXY-2(E)-BUTENENITRILE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H25NO10 |
| InChI | InChI=1S/C21H25NO10/c1-29-15-8-12(2-4-14(15)24)3-5-17(25)31-11-13(9-22)6-7-30-21-20(28)19(27)18(26)16(10-23)32-21/h2-6,8,16,18-21,23-24,26-28H,7,10-11H2,1H3/b5-3+,13-6+/t16-,18-,19+,20-,21-/m0/s1 |
| InChIKey | ZZGPJESHTGYKSG-FLTYALHOSA-N |
| Literature Reference Author | Y.LU,L.Y.FOO,H.WONG |
| Literature Reference Citation | PHYTOCHEM.,59,465(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00441-1 |
| Molecular Weight | 451.430 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2665 |