| SpectraBase Compound ID | GPpQtsYjHD0 |
|---|---|
| InChI | InChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1 |
| InChIKey | CXGHPQSURHQOBH-MQWSOPDOSA-O |
| Mol Weight | 621.48 g/mol |
| Molecular Formula | C27H25O17 |
| Exact Mass | 621.109174 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1zVE4KxVNy |
|---|---|
| Name | CYANIDIN-3-O-(3'',6''-DIMALONYL-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H25O17 |
| InChI | InChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1 |
| InChIKey | CXGHPQSURHQOBH-MQWSOPDOSA-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 | 621.485 g/mol |
| Solvent | CD3OD:CF3COOD=95:5 |
| Source File Reference | UWLU4621 |