| SpectraBase Compound ID | CCBqA1Sbo81 |
|---|---|
| InChI | InChI=1S/C20H23NO9/c21-9-13(11-29-16(24)6-3-12-1-4-14(23)5-2-12)7-8-28-20-19(27)18(26)17(25)15(10-22)30-20/h1-7,15,17-20,22-23,25-27H,8,10-11H2/b6-3+,13-7+/t15-,17-,18+,19-,20-/m0/s1 |
| InChIKey | CUXBICPZQSXIEU-VZTOQVRSSA-N |
| Mol Weight | 421.4 g/mol |
| Molecular Formula | C20H23NO9 |
| Exact Mass | 421.137281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GiEv5pfOaBf |
|---|---|
| Name | NIGRUMIN-5-PARA-COUMARATE;2-TRANS-PARA-COUMAROYLOXYMETHYL-4-BETA-D-GLUCOPYRANOSYLOXY-2(E)-BUTENENITRILE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H23NO9 |
| InChI | InChI=1S/C20H23NO9/c21-9-13(11-29-16(24)6-3-12-1-4-14(23)5-2-12)7-8-28-20-19(27)18(26)17(25)15(10-22)30-20/h1-7,15,17-20,22-23,25-27H,8,10-11H2/b6-3+,13-7+/t15-,17-,18+,19-,20-/m0/s1 |
| InChIKey | CUXBICPZQSXIEU-VZTOQVRSSA-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 | 421.404 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2664 |