| SpectraBase Compound ID | DPFlTiMxuqy |
|---|---|
| InChI | InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)48-14-23-27(43)30(46)34(52-24(41)11-4-16-2-7-18(37)8-3-16)36(51-23)53-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23-,26-,27-,29+,30+,31+,34-,35+,36+/m1/s1 |
| InChIKey | GOLQQIJBGPATQF-VPLHJEAQSA-N |
| Mol Weight | 740.7 g/mol |
| Molecular Formula | C36H36O17 |
| Exact Mass | 740.19525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BH1qMZeszNB |
|---|---|
| Name | KAEMPHEROL-3-O-BETA-D-(2''-TRANS-PARA-COUMAROYL)-RUTINOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H36O17 |
| InChI | InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)48-14-23-27(43)30(46)34(52-24(41)11-4-16-2-7-18(37)8-3-16)36(51-23)53-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+/t15-,23-,26-,27-,29+,30+,31+,34-,35+,36+/m1/s1 |
| InChIKey | GOLQQIJBGPATQF-VPLHJEAQSA-N |
| Literature Reference Author | R.S.G.OLEA,N.F.ROQUE,V.D.S.BOLZANI |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,8,257(1997) |
| Molecular Weight | 740.672 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWPA1216 |