| SpectraBase Compound ID | 3qHTDMf9ALN |
|---|---|
| InChI | InChI=1S/C33H40O21/c1-9-19(39)29(53-31-25(45)23(43)20(40)16(7-34)51-31)27(47)33(48-9)49-11-5-14(38)18-15(6-11)50-28(10-2-3-12(36)13(37)4-10)30(22(18)42)54-32-26(46)24(44)21(41)17(8-35)52-32/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17-,19-,20+,21-,23-,24+,25+,26-,27+,29+,31-,32+,33-/m1/s1 |
| InChIKey | ONEVIRKFYAWGBS-BDXYPKTESA-N |
| Mol Weight | 772.7 g/mol |
| Molecular Formula | C33H40O21 |
| Exact Mass | 772.206208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Qe8vhMHFLE |
|---|---|
| Name | QUERCETIN-3-O-[BETA]-D-GLUCOPYRANOSIDE-7-O-[BETA]-D-GLUCOPYRANOSYL-(1-3)-[ALPHA]-L-RHAMNOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O21 |
| InChI | InChI=1S/C33H40O21/c1-9-19(39)29(53-31-25(45)23(43)20(40)16(7-34)51-31)27(47)33(48-9)49-11-5-14(38)18-15(6-11)50-28(10-2-3-12(36)13(37)4-10)30(22(18)42)54-32-26(46)24(44)21(41)17(8-35)52-32/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17-,19-,20+,21-,23-,24+,25+,26-,27+,29+,31-,32+,33-/m1/s1 |
| InChIKey | ONEVIRKFYAWGBS-BDXYPKTESA-N |
| Literature Reference Author | S.VITALINI,A.BRACA,D.PASSARELLA,G.FICO |
| Literature Reference Citation | FITOTERAPIA,81,940(2010) |
| Literature Reference DOI | 10.1016/j.fitote.2010.06.012 |
| Molecular Weight | 772.668 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMB1189 |