| SpectraBase Compound ID | DybLXvBtESu |
|---|---|
| InChI | InChI=1S/C45H46N2O16/c1-8-28-31(20-34-39-30(17-18-46-34)29-11-9-10-12-33(29)47-39)32(43(53)55-7)21-57-44(28)63-45-42(61-26(5)51)41(60-25(4)50)40(59-24(3)49)37(62-45)22-56-38(52)16-14-27-13-15-35(58-23(2)48)36(19-27)54-6/h8-19,21,28,31,37,40-42,44-45,47H,1,20,22H2,2-7H3/b16-14+/t28-,31+,37-,40-,41+,42-,44+,45+/m0/s1 |
| InChIKey | KMEAVXPOASFFSK-PKMKLKDUSA-N |
| Mol Weight | 870.9 g/mol |
| Molecular Formula | C45H46N2O16 |
| Exact Mass | 870.284733 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXOkAwUq5a1 |
|---|---|
| Name | (E)-TETRA-(O-ACETYL)-O-(6')-CINNAMOYL-4''-HYDROXY-3''-METHOXY-LYALOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H46N2O16 |
| InChI | InChI=1S/C45H46N2O16/c1-8-28-31(20-34-39-30(17-18-46-34)29-11-9-10-12-33(29)47-39)32(43(53)55-7)21-57-44(28)63-45-42(61-26(5)51)41(60-25(4)50)40(59-24(3)49)37(62-45)22-56-38(52)16-14-27-13-15-35(58-23(2)48)36(19-27)54-6/h8-19,21,28,31,37,40-42,44-45,47H,1,20,22H2,2-7H3/b16-14+/t28-,31+,37-,40-,41+,42-,44+,45+/m0/s1 |
| InChIKey | KMEAVXPOASFFSK-PKMKLKDUSA-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 | 870.864 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN213 |