| SpectraBase Compound ID | 2tCZCBrUU6U |
|---|---|
| InChI | InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-4-7-20(40)21(41)9-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-3-15-1-5-17(38)6-2-15/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-/m1/s1 |
| InChIKey | NHTJKRAGLGHCLR-AQAMAIGXSA-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 | 6275PgzU6c6 |
|---|---|
| Name | GENTIOCYANIN-C;CYANIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-5-O-(6-O-TRANS-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 4 |
| 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)36(53-25)52-24-12-19-22(50-34(24)16-4-7-20(40)21(41)9-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-3-15-1-5-17(38)6-2-15/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-/m1/s1 |
| InChIKey | NHTJKRAGLGHCLR-AQAMAIGXSA-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 | 757.679 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWMS2594 |