| SpectraBase Compound ID | FnIiBS35XWR |
|---|---|
| InChI | InChI=1S/C36H32O15/c37-13-25-29(44)31(46)32(47)36(50-25)49-24-11-19-20(41)12-22(43)27(35(19)51-33(24)14-1-5-16(38)6-2-14)28-26-21(42)9-18(40)10-23(26)48-34(30(28)45)15-3-7-17(39)8-4-15/h1-12,25,28-32,34,36-37,44-47H,13H2,(H5-,38,39,40,41,42,43)/p+1/t25-,28+,29-,30-,31+,32-,34-,36-/m1/s1 |
| InChIKey | UCHHYHHTRCIREP-KRNRNQEZSA-O |
| Mol Weight | 705.6 g/mol |
| Molecular Formula | C36H33O15 |
| Exact Mass | 705.181945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lio07MfRy6n |
|---|---|
| Name | EPIAFZELECHIN-(4-ALPHA->8)-PELARGONIDIN-3-O-BETA-D-GLUCOPYRANOSIDE;MAJOR-ROTAMER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H33O15 |
| InChI | InChI=1S/C36H32O15/c37-13-25-29(44)31(46)32(47)36(50-25)49-24-11-19-20(41)12-22(43)27(35(19)51-33(24)14-1-5-16(38)6-2-14)28-26-21(42)9-18(40)10-23(26)48-34(30(28)45)15-3-7-17(39)8-4-15/h1-12,25,28-32,34,36-37,44-47H,13H2,(H5-,38,39,40,41,42,43)/p+1/t25-,28+,29-,30-,31+,32-,34-,36-/m1/s1 |
| InChIKey | UCHHYHHTRCIREP-KRNRNQEZSA-O |
| Literature Reference Author | T.FOSSEN,S.RAYYAN,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,65,1421(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.05.003 |
| Molecular Weight | 705.649 g/mol |
| Solvent | CD3OD:CF3COOD=95:5 |
| Source File Reference | UWVN31398 |