| SpectraBase Compound ID | Ks940NKXEiA |
|---|---|
| InChI | InChI=1S/C31H34O20/c32-8-19-22(38)24(40)26(42)30(50-19)48-17-5-11(33)4-16-12(17)6-18(28(47-16)10-1-2-13(34)14(35)3-10)49-31-27(43)25(41)23(39)20(51-31)9-46-21(37)7-15(36)29(44)45/h1-6,15,19-20,22-27,30-32,36,38-43H,7-9H2,(H3-,33,34,35,44,45)/p+1/t15?,19-,20-,22-,23-,24+,25+,26-,27?,30-,31-/m1/s1 |
| InChIKey | FNRUBIZNBCVMNZ-OAJYUGBFSA-O |
| Mol Weight | 727.6 g/mol |
| Molecular Formula | C31H35O20 |
| Exact Mass | 727.172169 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CRMEM7Sorw2 |
|---|---|
| Name | CYANIDIN-3-O-(6-O-MALYL-GLUCOSIDE)-5-O-GLUCOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H35O20 |
| InChI | InChI=1S/C31H34O20/c32-8-19-22(38)24(40)26(42)30(50-19)48-17-5-11(33)4-16-12(17)6-18(28(47-16)10-1-2-13(34)14(35)3-10)49-31-27(43)25(41)23(39)20(51-31)9-46-21(37)7-15(36)29(44)45/h1-6,15,19-20,22-27,30-32,36,38-43H,7-9H2,(H3-,33,34,35,44,45)/p+1/t15?,19-,20-,22-,23-,24+,25+,26-,27?,30-,31-/m1/s1 |
| InChIKey | FNRUBIZNBCVMNZ-OAJYUGBFSA-O |
| Literature Reference Author | S.J.BLOOR |
| Literature Reference Citation | PHYTOCHEM.,49,225(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01051-0 |
| Molecular Weight | 727.607 g/mol |
| Solvent | CD3OD:TFA-D |
| Source File Reference | UWLU93 |