| SpectraBase Compound ID | 9PxxRyQ71gG |
|---|---|
| InChI | InChI=1S/C30H26O15/c31-14-9-19(36)23-20(10-14)43-28(13-3-5-16(33)18(35)8-13)29(25(23)39)45-30-27(41)26(40)24(38)21(44-30)11-42-22(37)6-2-12-1-4-15(32)17(34)7-12/h1-10,21,24,26-27,30-36,38,40-41H,11H2/b6-2+/t21-,24+,26+,27-,30+/m1/s1 |
| InChIKey | IHBVMUCQCZEAPW-LIIVASQWSA-N |
| Mol Weight | 626.52 g/mol |
| Molecular Formula | C30H26O15 |
| Exact Mass | 626.12717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5raCOSxVFT7 |
|---|---|
| Name | QUERCETIN-3-(6''-O-TRANS-CAFFEOYL)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H26O15 |
| InChI | InChI=1S/C30H26O15/c31-14-9-19(36)23-20(10-14)43-28(13-3-5-16(33)18(35)8-13)29(25(23)39)45-30-27(41)26(40)24(38)21(44-30)11-42-22(37)6-2-12-1-4-15(32)17(34)7-12/h1-10,21,24,26-27,30-36,38,40-41H,11H2/b6-2+/t21-,24+,26+,27-,30+/m1/s1 |
| InChIKey | IHBVMUCQCZEAPW-LIIVASQWSA-N |
| Literature Reference Author | J.H.ISAZA,H.ITO,T.YOSHIDA |
| Literature Reference Citation | PHYTOCHEM.,58,321(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00247-3 |
| Molecular Weight | 626.527 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU2798 |