| SpectraBase Compound ID | CsW0DEaKSW4 |
|---|---|
| InChI | InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1 |
| InChIKey | NBQPHANHNTWDML-UJKBSQBPSA-N |
| Mol Weight | 550.43 g/mol |
| Molecular Formula | C24H22O15 |
| Exact Mass | 550.09587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgvOHyplB92 |
|---|---|
| Name | (MALONYL-6''-BETA-D-GLUCOSIDE)-3-QUERCETOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H22O15 |
| InChI | InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1 |
| InChIKey | NBQPHANHNTWDML-UJKBSQBPSA-N |
| Literature Reference Author | M.GESLIN,J.F.VERBIST |
| Literature Reference Citation | J.NAT.PROD.,48,111(1985) |
| Literature Reference DOI | 10.1021/np50037a020 |
| Molecular Weight | 550.430 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS3620 |