| SpectraBase Compound ID | 7CkoPh9scbm |
|---|---|
| InChI | InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m1/s1 |
| InChIKey | IFYOHQQBIKDHFT-WYMAFLLNSA-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 | 4OX7TZpjNtH |
|---|---|
| Name | PELARGONIDIN-3-O-(6''-O-ALPHA-RHAMNOPYRANOSYL-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31O14 |
| InChI | InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m1/s1 |
| InChIKey | IFYOHQQBIKDHFT-WYMAFLLNSA-O |
| Literature Reference Author | K.TORSKANGERPOLL,T.FOSSEN,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,52,1687(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00328-3 |
| Molecular Weight | 579.535 g/mol |
| Solvent | CD3OD:CF3COOD=19:1 |
| Source File Reference | UWVN330 |