| SpectraBase Compound ID | 20Pr2IVVXzu |
|---|---|
| InChI | InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)36(54-24)53-23-11-18-21(51-34(23)15-7-19(40)27(43)20(41)8-15)9-17(39)10-22(18)52-35-33(49)31(47)29(45)25(55-35)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1 |
| InChIKey | QBLJGCXJENARAY-QHVGLBQHSA-O |
| Mol Weight | 773.7 g/mol |
| Molecular Formula | C36H37O19 |
| Exact Mass | 773.192904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MZEOFcHsGa |
|---|---|
| Name | DELPHINIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-5-O-BETA-D-(6-E-PARA-COUMAROYLGLUCOPYRANOSIDE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H37O19 |
| InChI | InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)36(54-24)53-23-11-18-21(51-34(23)15-7-19(40)27(43)20(41)8-15)9-17(39)10-22(18)52-35-33(49)31(47)29(45)25(55-35)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1 |
| InChIKey | QBLJGCXJENARAY-QHVGLBQHSA-O |
| Literature Reference Author | K.R.MARKHAM |
| Literature Reference Citation | PHYTOCHEM.,42,1035(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00137-9 |
| Molecular Weight | 773.678 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU3689 |