| SpectraBase Compound ID | 4VWlXGH0X6b |
|---|---|
| InChI | InChI=1S/C33H38O22/c1-8-17(37)20(40)24(44)31(50-8)49-7-15-18(38)21(41)25(45)33(53-15)54-28-19(39)16-13(36)5-10(51-32-26(46)22(42)23(43)29(55-32)30(47)48)6-14(16)52-27(28)9-2-3-11(34)12(35)4-9/h2-6,8,15,17-18,20-26,29,31-38,40-46H,7H2,1H3,(H,47,48)/t8-,15+,17-,18+,20+,21-,22+,23+,24+,25+,26-,29+,31+,32-,33-/m0/s1 |
| InChIKey | NYEMNXLOIMNTDU-BAWYJTHDSA-N |
| Mol Weight | 786.6 g/mol |
| Molecular Formula | C33H38O22 |
| Exact Mass | 786.185473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vpN73I5mfi |
|---|---|
| Name | QUERCETIN-3-O-BETA-RUTINOSIDE-7-O-BETA-GLUCURONIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38O22 |
| InChI | InChI=1S/C33H38O22/c1-8-17(37)20(40)24(44)31(50-8)49-7-15-18(38)21(41)25(45)33(53-15)54-28-19(39)16-13(36)5-10(51-32-26(46)22(42)23(43)29(55-32)30(47)48)6-14(16)52-27(28)9-2-3-11(34)12(35)4-9/h2-6,8,15,17-18,20-26,29,31-38,40-46H,7H2,1H3,(H,47,48)/t8-,15+,17-,18+,20+,21-,22+,23+,24+,25+,26-,29+,31+,32-,33-/m0/s1 |
| InChIKey | NYEMNXLOIMNTDU-BAWYJTHDSA-N |
| Literature Reference Author | J.BUDZIANOWSKI |
| Literature Reference Citation | PHYTOCHEM.,30,1679(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84233-I |
| Molecular Weight | 786.652 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU27513 |