| SpectraBase Compound ID | ENE4APGpfhy |
|---|---|
| InChI | InChI=1S/C27H30O17/c28-6-12-15(33)18(36)20(38)26(40-12)43-23-11(32)5-10(31)14-17(35)25(22(42-24(14)23)8-1-3-9(30)4-2-8)44-27-21(39)19(37)16(34)13(7-29)41-27/h1-5,12-13,15-16,18-21,26-34,36-39H,6-7H2/t12-,13+,15-,16+,18+,19-,20-,21+,26+,27-/m0/s1 |
| InChIKey | VMOKZQAQPBUNRW-NIRHHDAKSA-N |
| Mol Weight | 626.52 g/mol |
| Molecular Formula | C27H30O17 |
| Exact Mass | 626.148299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FO4t30dyQ66 |
|---|---|
| Name | HERBACETIN-DI-BETA-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O17 |
| InChI | InChI=1S/C27H30O17/c28-6-12-15(33)18(36)20(38)26(40-12)43-23-11(32)5-10(31)14-17(35)25(22(42-24(14)23)8-1-3-9(30)4-2-8)44-27-21(39)19(37)16(34)13(7-29)41-27/h1-5,12-13,15-16,18-21,26-34,36-39H,6-7H2/t12-,13+,15-,16+,18+,19-,20-,21+,26+,27-/m0/s1 |
| InChIKey | VMOKZQAQPBUNRW-NIRHHDAKSA-N |
| Literature Reference Author | K.STRUIJS,J.P.VINCKEN,R.VERHOEF,W.H.M.V.O.V.CASTEREN,A.G.J.V ORAGEN,H.GRUPPEN |
| Literature Reference Citation | PHYTOCHEM.,68,1227(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.10.022 |
| Molecular Weight | 626.525 g/mol |
| Sample ID | 62391 |
| Solvent | CD3OD |