| SpectraBase Compound ID | 9wghvduXjT8 |
|---|---|
| InChI | InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)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-/m0/s1 |
| InChIKey | HXWHJZIJSNBCJX-UEBPKXJESA-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 | Io6GPL2N69p |
|---|---|
| Name | DELPHINIDIN-3-O-(6-O-TRANS-PARA-COUMAROYL-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 | C36H37O19 |
| InChI | InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)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-/m0/s1 |
| InChIKey | HXWHJZIJSNBCJX-UEBPKXJESA-O |
| Literature Reference Author | K.HOSOKAWA,Y.FUKUNAGA,E.FUKUSHI,J.KAWABATA |
| Literature Reference Citation | PHYTOCHEM.,38,1293(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00778-R |
| Molecular Weight | 773.678 g/mol |
| Solvent | CD3OD:CF3CO2D=9:1 |
| Source File Reference | UWMS3982 |