| SpectraBase Compound ID | 1gDqTZNmTja |
|---|---|
| InChI | InChI=1S/C27H30O14/c1-10-19(32)21(34)23(36)26(37-10)41-25-22(35)20(33)18(9-28)40-27(25)39-17-8-14-15(31)6-13(30)7-16(14)38-24(17)11-2-4-12(29)5-3-11/h2-8,10,18-23,25-28,32-36H,9H2,1H3,(H2-,29,30,31)/p+1/t10?,18-,19+,20+,21+,22+,23-,25-,26+,27+/m1/s1 |
| InChIKey | LOTQYUGZMRODMN-AQCKUXNNSA-O |
| Mol Weight | 579.53 g/mol |
| Molecular Formula | C27H31O14 |
| Exact Mass | 579.171381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39BeAFMlXti |
|---|---|
| Name | Pelargonidin 3-O-A-L-rhamnopyranosyl-(1->2)-B-D-glucopyranoside |
| Comments | chloride |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H31O14 |
| InChI | InChI=1S/C27H30O14/c1-10-19(32)21(34)23(36)26(37-10)41-25-22(35)20(33)18(9-28)40-27(25)39-17-8-14-15(31)6-13(30)7-16(14)38-24(17)11-2-4-12(29)5-3-11/h2-8,10,18-23,25-28,32-36H,9H2,1H3,(H2-,29,30,31)/p+1/t10?,18-,19+,20+,21+,22+,23-,25-,26+,27+/m1/s1 |
| InChIKey | LOTQYUGZMRODMN-AQCKUXNNSA-O |
| Literature Reference | O.M. Andersen, Acta Chem. Scand. B42, 462 (1988). |
| NMR Standard | DMSO-D6 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |