| SpectraBase Compound ID | 47xX6pLae3A |
|---|---|
| InChI | InChI=1S/C30H32O19/c1-9-20(38)23(41)25(43)29(45-9)49-28-24(42)21(39)16(8-44-18(37)7-17(35)36)47-30(28)48-27-22(40)19-14(34)5-11(31)6-15(19)46-26(27)10-2-3-12(32)13(33)4-10/h2-6,9,16,20-21,23-25,28-34,38-39,41-43H,7-8H2,1H3,(H,35,36)/t9-,16+,20-,21+,23+,24-,25+,28+,29-,30-/m0/s1 |
| InChIKey | NTHFGJOIFSTXSI-VOGLLJHSSA-N |
| Mol Weight | 696.6 g/mol |
| Molecular Formula | C30H32O19 |
| Exact Mass | 696.153779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gNWQkNJLO5 |
|---|---|
| Name | QUERCETIN-3-O-(2''-O-ALPHA-RHAMNOPYRANOSYL-6''-O-MALONYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H32O19 |
| InChI | InChI=1S/C30H32O19/c1-9-20(38)23(41)25(43)29(45-9)49-28-24(42)21(39)16(8-44-18(37)7-17(35)36)47-30(28)48-27-22(40)19-14(34)5-11(31)6-15(19)46-26(27)10-2-3-12(32)13(33)4-10/h2-6,9,16,20-21,23-25,28-34,38-39,41-43H,7-8H2,1H3,(H,35,36)/t9-,16+,20-,21+,23+,24-,25+,28+,29-,30-/m0/s1 |
| InChIKey | NTHFGJOIFSTXSI-VOGLLJHSSA-N |
| Literature Reference Author | K.KAZUMA,N.NODA,M.SUZUKI |
| Literature Reference Citation | PHYTOCHEM.,62,229(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00486-7 |
| Molecular Weight | 696.573 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS28350 |