| SpectraBase Compound ID | 60OAo5kvb1s |
|---|---|
| InChI | InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m0/s1 |
| InChIKey | MLLMLJXCGLXOIJ-XDMCCRGWSA-O |
| Mol Weight | 757.7 g/mol |
| Molecular Formula | C36H37O18 |
| Exact Mass | 757.197989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHSyHTWefcL |
|---|---|
| Name | PELARGONIDIN-3-O-(6-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE)-5-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H37O18 |
| InChI | InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m0/s1 |
| InChIKey | MLLMLJXCGLXOIJ-XDMCCRGWSA-O |
| Literature Reference Author | K.HOSOKAWA,Y.FUKUNAGA,E.FUKUSHI,J.KAWABATA |
| Literature Reference Citation | PHYTOCHEM.,40,567(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00312-U |
| Molecular Weight | 757.679 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWVN3608 |