| SpectraBase Compound ID | GC6B9zsD1IF |
|---|---|
| InChI | InChI=1S/C35H44O21/c1-11-21(38)25(42)28(45)33(51-11)50-10-19-23(40)27(44)30(47)35(55-19)56-32-24(41)20-16(52-31(32)12-4-5-15(49-3)14(37)6-12)7-13(48-2)8-17(20)53-34-29(46)26(43)22(39)18(9-36)54-34/h4-8,11,18-19,21-23,25-30,33-40,42-47H,9-10H2,1-3H3/t11-,18+,19+,21-,22+,23+,25+,26-,27-,28+,29+,30+,33+,34+,35-/m1/s1 |
| InChIKey | UOOULRKANCNCRM-GQZLHOSKSA-N |
| Mol Weight | 800.7 g/mol |
| Molecular Formula | C35H44O21 |
| Exact Mass | 800.237508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BcdgIK9jX5s |
|---|---|
| Name | QUERCETIN-5-O-BETA-GLUCOPYRANOSIDE-3-O-RUTINOSIDE-7,4'-DIMETHYLETHER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44O21 |
| InChI | InChI=1S/C35H44O21/c1-11-21(38)25(42)28(45)33(51-11)50-10-19-23(40)27(44)30(47)35(55-19)56-32-24(41)20-16(52-31(32)12-4-5-15(49-3)14(37)6-12)7-13(48-2)8-17(20)53-34-29(46)26(43)22(39)18(9-36)54-34/h4-8,11,18-19,21-23,25-30,33-40,42-47H,9-10H2,1-3H3/t11-,18+,19+,21-,22+,23+,25+,26-,27-,28+,29+,30+,33+,34+,35-/m1/s1 |
| InChIKey | UOOULRKANCNCRM-GQZLHOSKSA-N |
| Literature Reference Author | M.H.CHAVES,N.F.ROQUE,M.C.C.AYRES |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,15,608(2004) |
| Literature Reference DOI | 10.1590/s0103-50532004000400026 |
| Molecular Weight | 800.722 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU7053 |