| SpectraBase Compound ID | 5lDmbrrd3P1 |
|---|---|
| InChI | InChI=1S/C37H38N2O12/c1-4-20-23(16-26-31-22(13-14-38-26)21-7-5-6-8-25(21)39-31)24(35(45)47-3)17-49-36(20)51-37-34(44)33(43)32(42)29(50-37)18-48-30(41)12-10-19-9-11-27(40)28(15-19)46-2/h4-15,17,20,23,29,32-34,36-37,39-40,42-44H,1,16,18H2,2-3H3/b12-10+/t20-,23+,29-,32-,33+,34-,36+,37+/m0/s1 |
| InChIKey | LWFNFQXOPUCHCN-WPYUFUTESA-N |
| Mol Weight | 702.7 g/mol |
| Molecular Formula | C37H38N2O12 |
| Exact Mass | 702.242475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmTFfhcq6IU |
|---|---|
| Name | (E)-O-(6')-CINNAMOYL-4''-HYDROXY-3''-METHOXY-LYALOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H38N2O12 |
| InChI | InChI=1S/C37H38N2O12/c1-4-20-23(16-26-31-22(13-14-38-26)21-7-5-6-8-25(21)39-31)24(35(45)47-3)17-49-36(20)51-37-34(44)33(43)32(42)29(50-37)18-48-30(41)12-10-19-9-11-27(40)28(15-19)46-2/h4-15,17,20,23,29,32-34,36-37,39-40,42-44H,1,16,18H2,2-3H3/b12-10+/t20-,23+,29-,32-,33+,34-,36+,37+/m0/s1 |
| InChIKey | LWFNFQXOPUCHCN-WPYUFUTESA-N |
| Literature Reference Author | J.VALVERDE,G.TAMAYO,M.HESSE |
| Literature Reference Citation | PHYTOCHEM.,52,1485(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00215-0 |
| Molecular Weight | 702.715 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN212 |