| SpectraBase Compound ID | CkuYQVqe3iB |
|---|---|
| InChI | InChI=1S/C21H28O10/c1-7-3-10(23)14-8(2)20(28)31-19(14)15-9(4-11(24)13(7)15)6-29-21-18(27)17(26)16(25)12(5-22)30-21/h4,8,10,12,14-19,21-23,25-27H,3,5-6H2,1-2H3/t8-,10-,12-,14+,15-,16-,17+,18-,19-,21-/m0/s1 |
| InChIKey | ZEMSXERQBUSFBA-UBWXJZCZSA-N |
| Mol Weight | 440.45 g/mol |
| Molecular Formula | C21H28O10 |
| Exact Mass | 440.168247 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8wZk53iIMu0 |
|---|---|
| Name | GUAIANOLIDE-CICHORIOSIDE-B;11-BETA,13-DIHYDROLACTUCIN-15-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O10 |
| InChI | InChI=1S/C21H28O10/c1-7-3-10(23)14-8(2)20(28)31-19(14)15-9(4-11(24)13(7)15)6-29-21-18(27)17(26)16(25)12(5-22)30-21/h4,8,10,12,14-19,21-23,25-27H,3,5-6H2,1-2H3/t8-,10-,12-,14+,15-,16-,17+,18-,19-,21-/m0/s1 |
| InChIKey | ZEMSXERQBUSFBA-UBWXJZCZSA-N |
| Literature Reference Author | K.MICHALSKA,E.SZNELER,W.KISIEL |
| Literature Reference Citation | MAGN.RES.CHEM.,49,753(2011) |
| Literature Reference DOI | 10.1002/mrc.2801 |
| Molecular Weight | 440.447 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT13129 |