| SpectraBase Compound ID | J29A1BbTiIw |
|---|---|
| InChI | InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1 |
| InChIKey | ROQLTZUOXIQBDO-JZWLZXDTSA-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 | 9NchoQdK19E |
|---|---|
| Name | CYANIDIN-3-O-(6''-O-MALONYL-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H23O14 |
| InChI | InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1 |
| InChIKey | ROQLTZUOXIQBDO-JZWLZXDTSA-O |
| Literature Reference Author | T.FOSSEN,D.O.OVSTEDAL |
| Literature Reference Citation | PHYTOCHEM.,63,783(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00339-X |
| Molecular Weight | 535.438 g/mol |
| Solvent | CF3COOD:CD3OD=5:95 |
| Source File Reference | UWVN27100 |