| SpectraBase Compound ID | ESGIEcVqrPQ |
|---|---|
| InChI | InChI=1S/C28H32O14/c1-38-16-8-14(32)13-6-7-15(11-2-4-12(31)5-3-11)39-25(13)19(16)26-27(23(36)21(34)17(9-29)40-26)42-28-24(37)22(35)20(33)18(10-30)41-28/h2-8,17-18,20-24,26-30,33-37H,9-10H2,1H3,(H-,31,32)/p+1/t17-,18-,20-,21-,22+,23+,24-,26+,27-,28+/m1/s1 |
| InChIKey | QPOKYJKAYWFHPX-OMQLKUSUSA-O |
| Mol Weight | 593.6 g/mol |
| Molecular Formula | C28H33O14 |
| Exact Mass | 593.187031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4JJNxrMssPV |
|---|---|
| Name | 8-C-BETA-(2''-O-BETA-GLUCOPYRANOSYL)-GLUCOPYRANOSYL-7-O-METHYL-APIGENINIDIN;MAJOR-ISOMER |
| Compound Number | 3(8) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H33O14 |
| InChI | InChI=1S/C28H32O14/c1-38-16-8-14(32)13-6-7-15(11-2-4-12(31)5-3-11)39-25(13)19(16)26-27(23(36)21(34)17(9-29)40-26)42-28-24(37)22(35)20(33)18(10-30)41-28/h2-8,17-18,20-24,26-30,33-37H,9-10H2,1H3,(H-,31,32)/p+1/t17-,18-,20-,21-,22+,23+,24-,26+,27-,28+/m1/s1 |
| InChIKey | QPOKYJKAYWFHPX-OMQLKUSUSA-O |
| Literature Reference Author | O.BROROY,S.RAYYAN,T.FOSSEN,O.M.ANDERSEN |
| Literature Reference Citation | J.AGR.FOOD.CHEM.,57,6668(2009) |
| Literature Reference DOI | 10.1021/jf900759q |
| Molecular Weight | 593.562 g/mol |
| Sample ID | 68064 |
| Solvent | CF3COOD:CD3OD=5:95 |