| SpectraBase Compound ID | 9uaam0XNv1F |
|---|---|
| InChI | InChI=1S/C30H32O19/c31-8-18-22(39)24(41)25(42)29(47-18)49-28-23(40)19(9-44-21(38)7-20(36)37)48-30(26(28)43)46-17-6-12-14(34)4-11(32)5-16(12)45-27(17)10-1-2-13(33)15(35)3-10/h1-6,18-19,22-26,28-31,39-43H,7-9H2,(H4-,32,33,34,35,36,37)/p+1/t18-,19-,22-,23-,24+,25-,26-,28+,29+,30-/m0/s1 |
| InChIKey | RLENKWQMUNAYFI-AENYGENPSA-O |
| Mol Weight | 697.6 g/mol |
| Molecular Formula | C30H33O19 |
| Exact Mass | 697.161604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDvdwVmUMMo |
|---|---|
| Name | CYANIDIN-3-O-(3''-O-BETA-GLUCOPYRANOSYL-6''-O-MALONYL-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H33O19 |
| InChI | InChI=1S/C30H32O19/c31-8-18-22(39)24(41)25(42)29(47-18)49-28-23(40)19(9-44-21(38)7-20(36)37)48-30(26(28)43)46-17-6-12-14(34)4-11(32)5-16(12)45-27(17)10-1-2-13(33)15(35)3-10/h1-6,18-19,22-26,28-31,39-43H,7-9H2,(H4-,32,33,34,35,36,37)/p+1/t18-,19-,22-,23-,24+,25-,26-,28+,29+,30-/m0/s1 |
| InChIKey | RLENKWQMUNAYFI-AENYGENPSA-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 | 697.581 g/mol |
| Solvent | CF3CO2D:CD3OD=5:95 |
| Source File Reference | UWKP5803 |