| SpectraBase Compound ID | 97CJSj6msDz |
|---|---|
| InChI | InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-3-9(1-2-12(15)31)25-16(6-11-13(32)4-10(30)5-14(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 | MNKUMWVPHXPSLS-UNZWAFRASA-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 | F4NG1QO9UAN |
|---|---|
| Name | CYANIDIN-3-O-BETA-GALACTOPYRANOSIDE-3'-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| 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(33)21(35)23(37)26(42-17)40-15-3-9(1-2-12(15)31)25-16(6-11-13(32)4-10(30)5-14(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 | MNKUMWVPHXPSLS-UNZWAFRASA-O |
| Literature Reference Author | O.BJOROY,T.FOSSEN,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,68,640(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.11.028 |
| Molecular Weight | 611.534 g/mol |
| Sample ID | 42622 |
| Solvent | CF3COOD:CD3OD=5:95 |