| SpectraBase Compound ID | DZbtEQoGEbo |
|---|---|
| InChI | InChI=1S/C27H30O15/c1-37-17-4-10(2-3-13(17)30)24-18(7-12-14(31)5-11(29)6-16(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1/t15-,19-,20+,21-,22+,23-,25-,26+,27-/m0/s1 |
| InChIKey | PYUGATAPBPHGFK-WLDGFWLWSA-O |
| Mol Weight | 595.53 g/mol |
| Molecular Formula | C27H31O15 |
| Exact Mass | 595.166295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9S9j8lawIO8 |
|---|---|
| Name | PEONIDIN-3-O-SAMBUBIOSIDE;PEONIDIN-3-O-(2''-O-BETA-XYLOPYRANOSYL-O-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31O15 |
| InChI | InChI=1S/C27H30O15/c1-37-17-4-10(2-3-13(17)30)24-18(7-12-14(31)5-11(29)6-16(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1/t15-,19-,20+,21-,22+,23-,25-,26+,27-/m0/s1 |
| InChIKey | PYUGATAPBPHGFK-WLDGFWLWSA-O |
| Literature Reference Author | L.CABRITA,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,52,1693(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00281-2 |
| Molecular Weight | 595.534 g/mol |
| Solvent | CD3OD:CF3COOD=95:5 |
| Source File Reference | UWVN336 |