| SpectraBase Compound ID | 5sxNrTdYmE7 |
|---|---|
| InChI | InChI=1S/C19H28O12/c20-7-19(27)8-30-18(16(19)26)29-6-12-13(23)14(24)15(25)17(31-12)28-4-3-9-1-2-10(21)11(22)5-9/h1-2,5,12-18,20-27H,3-4,6-8H2/t12-,13-,14+,15-,16-,17-,18+,19+/m1/s1 |
| InChIKey | LBHKVQMODMELAS-ZVOZYRGUSA-N |
| Mol Weight | 448.42 g/mol |
| Molecular Formula | C19H28O12 |
| Exact Mass | 448.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiqWCvUdOpB |
|---|---|
| Name | CUNEATOSIDE_C;2-(3,4-DIHYDROXYPHENYL)-ETHYL-O-BETA-APIOFURANOSYL-(1''->6')-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H28O12 |
| InChI | InChI=1S/C19H28O12/c20-7-19(27)8-30-18(16(19)26)29-6-12-13(23)14(24)15(25)17(31-12)28-4-3-9-1-2-10(21)11(22)5-9/h1-2,5,12-18,20-27H,3-4,6-8H2/t12-,13-,14+,15-,16-,17-,18+,19+/m1/s1 |
| InChIKey | LBHKVQMODMELAS-ZVOZYRGUSA-N |
| Literature Reference Author | J.CHANG,R.CASE |
| Literature Reference Citation | PHYTOCHEM.,66,2752(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.09.018 |
| Molecular Weight | 448.424 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ19781 |