| SpectraBase Compound ID | BvcS6nsiuaG |
|---|---|
| InChI | InChI=1S/C36H42O24/c37-8-19-24(45)27(48)29(50)34(57-19)56-17-2-1-11(3-15(17)40)32-16(41)6-13-14(39)4-12(5-18(13)55-32)54-36-31(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 | QGCHIWXFUJCTJP-JALHFSQLSA-O |
| Mol Weight | 859.7 g/mol |
| Molecular Formula | C36H43O24 |
| Exact Mass | 859.214427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JS2tQYIlRoe |
|---|---|
| Name | CYANIDIN-7-O-(3''-O-BETA-GLUCOPYRANOSYL-6''-O-MALONYL-BETA-GLUCOPYRANOSIDE)-4'-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| 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)56-17-2-1-11(3-15(17)40)32-16(41)6-13-14(39)4-12(5-18(13)55-32)54-36-31(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 | QGCHIWXFUJCTJP-JALHFSQLSA-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 | UWKP5799 |