| SpectraBase Compound ID | ISaeTM9xcPx |
|---|---|
| InChI | InChI=1S/C36H42O24/c37-8-19-24(45)27(48)29(50)34(57-19)55-16-2-1-11(3-15(16)41)32-18(6-13-14(40)4-12(39)5-17(13)54-32)56-36-31(52)33(26(47)21(59-36)10-53-23(44)7-22(42)43)60-35-30(51)28(49)25(46)20(9-38)58-35/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1/t19-,20+,21+,24-,25+,26+,27+,28-,29-,30+,31+,33-,34-,35-,36+/m1/s1 |
| InChIKey | XXFRPBJBDCHDPB-WVJYYZJESA-O |
| Mol Weight | 859.7 g/mol |
| Molecular Formula | C36H43O24 |
| Exact Mass | 859.214427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JKlM0eE7FP |
|---|---|
| Name | CYANIDIN-3-O-(3''-O-BETA-GLUCOPYRANOSYL-6''-O-MALONYL-BETA-GLUCOPYRANOSIDE)-4'-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H43O24 |
| InChI | InChI=1S/C36H42O24/c37-8-19-24(45)27(48)29(50)34(57-19)55-16-2-1-11(3-15(16)41)32-18(6-13-14(40)4-12(39)5-17(13)54-32)56-36-31(52)33(26(47)21(59-36)10-53-23(44)7-22(42)43)60-35-30(51)28(49)25(46)20(9-38)58-35/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1/t19-,20+,21+,24-,25+,26+,27+,28-,29-,30+,31+,33-,34-,35-,36+/m1/s1 |
| InChIKey | XXFRPBJBDCHDPB-WVJYYZJESA-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 | 859.723 g/mol |
| Solvent | CF3CO2D:CD3OD=5:95 |
| Source File Reference | UWKP5798 |