| SpectraBase Compound ID | 2DbYZGve1YL |
|---|---|
| InChI | InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/m0/s1 |
| InChIKey | SXYMMDGPXYVCER-YWXHFWPTSA-O |
| Mol Weight | 611.53 g/mol |
| Molecular Formula | C27H31O16 |
| Exact Mass | 611.16121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fxspdmo6Q9 |
|---|---|
| Name | CYANIDIN-3-O-(2''-O-BETA-GLUCOPYRANOSYL-BETA-GALACTOPYRANOSIDE) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31O16 |
| InChI | InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/m0/s1 |
| InChIKey | SXYMMDGPXYVCER-YWXHFWPTSA-O |
| Literature Reference Author | R.SLIMESTAD,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,49,2163(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00397-5 |
| Molecular Weight | 611.534 g/mol |
| Solvent | CF3COOD:CD3OD=5:95 |
| Source File Reference | UWLU950 |