| SpectraBase Compound ID | IogO2FMtshm |
|---|---|
| InChI | InChI=1S/C28H24O15/c29-9-21-23(37)24(38)26(43-27(39)11-4-17(34)22(36)18(35)5-11)28(42-21)41-20-8-13-15(32)6-12(30)7-19(13)40-25(20)10-1-2-14(31)16(33)3-10/h1-8,21,23-24,26,28-29,37-38H,9H2,(H6-,30,31,32,33,34,35,36,39)/p+1/t21-,23+,24+,26-,28-/m0/s1 |
| InChIKey | WUJWGTHCPFBYPP-OTMSLBAFSA-O |
| Mol Weight | 601.49 g/mol |
| Molecular Formula | C28H25O15 |
| Exact Mass | 601.119345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TyBd8w6FTv |
|---|---|
| Name | CYANIDIN-3-O-(2''-O-GALLOYL-BETA-GALACTOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H25O15 |
| InChI | InChI=1S/C28H24O15/c29-9-21-23(37)24(38)26(43-27(39)11-4-17(34)22(36)18(35)5-11)28(42-21)41-20-8-13-15(32)6-12(30)7-19(13)40-25(20)10-1-2-14(31)16(33)3-10/h1-8,21,23-24,26,28-29,37-38H,9H2,(H6-,30,31,32,33,34,35,36,39)/p+1/t21-,23+,24+,26-,28-/m0/s1 |
| InChIKey | WUJWGTHCPFBYPP-OTMSLBAFSA-O |
| Literature Reference Author | B.REIERSEN,B.T.KIREMIRE,R.BYAMUKAMA,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,64,867(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00494-1 |
| Molecular Weight | 601.498 g/mol |
| Solvent | CD3OD:CF3CO2D=20:1 |
| Source File Reference | UWKP5851 |