| SpectraBase Compound ID | 3qnNtKvtsk8 |
|---|---|
| InChI | InChI=1S/2C21H28O12/c2*1-9-14(24)16(26)18(28)20(31-9)30-8-12-15(25)17(27)19(29)21(32-12)33-13(23)7-4-10-2-5-11(22)6-3-10/h2*2-7,9,12,14-22,24-29H,8H2,1H3/b7-4+;7-4-/t9-,12-,14-,15-,16+,17+,18+,19-,20+,21+;9-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m01/s1 |
| InChIKey | GXDQKZHEUMJKRX-JTICQNIBSA-N |
| Mol Weight | 944.89 g/mol |
| Molecular Formula | C42H56O24 |
| Exact Mass | 944.316153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwdYiSMmH15 |
|---|---|
| Name | (Z/E)-1-O-RUTINOSIDE-PARA-COUMAROYL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H56O24 |
| InChI | InChI=1S/2C21H28O12/c2*1-9-14(24)16(26)18(28)20(31-9)30-8-12-15(25)17(27)19(29)21(32-12)33-13(23)7-4-10-2-5-11(22)6-3-10/h2*2-7,9,12,14-22,24-29H,8H2,1H3/b7-4+;7-4-/t9-,12-,14-,15-,16+,17+,18+,19-,20+,21+;9-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m01/s1 |
| InChIKey | GXDQKZHEUMJKRX-JTICQNIBSA-N |
| Literature Reference Author | M.NEACSU,V.MICOL,L.PEREZ-FONS,S.WILLFOER,B.HOLMBOM,R.MALLAVI A |
| Literature Reference Citation | MOLECULES,12,205(2007) |
| Literature Reference DOI | 10.3390/12020205 |
| Molecular Weight | 944.892 g/mol |
| Sample ID | 57508 |
| Solvent | CD3OD |