| SpectraBase Compound ID | AAVQ8cqK7JZ |
|---|---|
| InChI | InChI=1S/C35H34O17/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42)/p+1/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m0/s1 |
| InChIKey | KMIJRKZNTFVLAI-ALPGBQOASA-O |
| Mol Weight | 727.6 g/mol |
| Molecular Formula | C35H35O17 |
| Exact Mass | 727.187425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJlrHGq4XIK |
|---|---|
| Name | CYANIDIN-3-O-(2-O-BETA-XYLOPYRANOSYL-6-O-(Z)-PARA-COUMAROYL)-BETA-GALACTOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H35O17 |
| InChI | InChI=1S/C35H34O17/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42)/p+1/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m0/s1 |
| InChIKey | KMIJRKZNTFVLAI-ALPGBQOASA-O |
| Literature Reference Author | J.B.LI,F.HASHIMOTO,K.SHIMIZU,Y.SAKATA |
| Literature Reference Citation | PHYTOCHEM.,69,3166(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.03.014 |
| Molecular Weight | 727.653 g/mol |
| Sample ID | 63893 |
| Solvent | CD3OD |