| SpectraBase Compound ID | 4ma057rjrUS |
|---|---|
| InChI | InChI=1S/C30H26O16/c1-11(31)42-10-23-25(39)26(40)28(46-29(41)13-5-19(36)24(38)20(37)6-13)30(45-23)44-22-9-15-17(34)7-14(32)8-21(15)43-27(22)12-2-3-16(33)18(35)4-12/h2-9,23,25-26,28,30,39-40H,10H2,1H3,(H6-,32,33,34,35,36,37,38,41)/p+1/t23-,25+,26+,28-,30-/m1/s1 |
| InChIKey | PDQFRMLNCALEBS-QDIGOSCNSA-O |
| Mol Weight | 643.53 g/mol |
| Molecular Formula | C30H27O16 |
| Exact Mass | 643.12991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kw5YioQexHj |
|---|---|
| Name | CYANIDIN-3-O-(2''-O-GALLOYL-6''-O-ACETYL-BETA-GALACTOPYRANOSIDE) |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H27O16 |
| InChI | InChI=1S/C30H26O16/c1-11(31)42-10-23-25(39)26(40)28(46-29(41)13-5-19(36)24(38)20(37)6-13)30(45-23)44-22-9-15-17(34)7-14(32)8-21(15)43-27(22)12-2-3-16(33)18(35)4-12/h2-9,23,25-26,28,30,39-40H,10H2,1H3,(H6-,32,33,34,35,36,37,38,41)/p+1/t23-,25+,26+,28-,30-/m1/s1 |
| InChIKey | PDQFRMLNCALEBS-QDIGOSCNSA-O |
| Literature Reference Author | T.FOSSEN,A.LARSEN,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,48,823(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00918-7 |
| Molecular Weight | 643.535 g/mol |
| Solvent | CD3OD:CF3COOD=95:5 |
| Source File Reference | UWMS1226 |