| SpectraBase Compound ID | 3oX9IqKvCSl |
|---|---|
| InChI | InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-22(51-34(24)15-3-5-19(40)21(42)8-15)9-16(38)10-23(17)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m0/s1 |
| InChIKey | DBWNTBWELCRVQD-XDMCCRGWSA-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 | Iz5E5n8XqNn |
|---|---|
| Name | GENTIOCYANIN-A;CYANIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-5-O-(6-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H37O19 |
| InChI | InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-22(51-34(24)15-3-5-19(40)21(42)8-15)9-16(38)10-23(17)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m0/s1 |
| InChIKey | DBWNTBWELCRVQD-XDMCCRGWSA-O |
| Literature Reference Author | K.HOSOKAWA,E.FUKUSHI,J.KAWABATA,C.FUJII,T.ITO,S.YAMAMURA |
| Literature Reference Citation | PHYTOCHEM.,40,941(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00242-Y |
| Molecular Weight | 773.678 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWMS2592 |