| SpectraBase Compound ID | CKL8nDnVSfI |
|---|---|
| InChI | InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1/t17-,20-,21-,23+,24-/m1/s1 |
| InChIKey | AWPCCUSBXWEBBS-FYFHWUFJSA-O |
| Mol Weight | 535.43 g/mol |
| Molecular Formula | C24H23O14 |
| Exact Mass | 535.10878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClZPNQ5WJ0l |
|---|---|
| Name | CYANIDIN-3-O-(3''-MALONYL-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H23O14 |
| InChI | InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1/t17-,20-,21-,23+,24-/m1/s1 |
| InChIKey | AWPCCUSBXWEBBS-FYFHWUFJSA-O |
| Literature Reference Author | O.M.ANDERSEN,T.FOSSEN |
| Literature Reference Citation | PHYTOCHEM.,40,1809(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)90025-Q |
| Molecular Weight | 535.438 g/mol |
| Solvent | CD3OD:CF3COOD=95:5 |
| Source File Reference | UWLU4622 |