| SpectraBase Compound ID | 8SamUJYsisC |
|---|---|
| InChI | InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(3-13(14)32)25-16(6-11-12(31)4-10(30)5-15(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18+,19-,20+,21+,22-,23-,24+,26-,27+/m0/s1 |
| InChIKey | RNNDUDNKXCUQFJ-SLBJWAMWSA-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 | 2LLDFTGVzkd |
|---|---|
| Name | CYANIDIN-3,4'-DI-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31O16 |
| InChI | InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(3-13(14)32)25-16(6-11-12(31)4-10(30)5-15(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18+,19-,20+,21+,22-,23-,24+,26-,27+/m0/s1 |
| InChIKey | RNNDUDNKXCUQFJ-SLBJWAMWSA-O |
| Literature Reference Author | T.FOSSEN,R.SLIMESTAD,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,64,1367(2003) |
| Literature Reference DOI | 10.1016/j.phytochem.2003.08.019 |
| Molecular Weight | 611.534 g/mol |
| Solvent | CF3CO2D:CD3OD=5:95 |
| Source File Reference | UWKP5797 |