| SpectraBase Compound ID | 4Q6KNHQqBr9 |
|---|---|
| InChI | InChI=1S/C21H36O9/c1-9-5-11(28-18-17(26)16(25)15(24)12(8-22)29-18)14-10(9)6-21(27)13(23)7-20(14,4)30-19(21,2)3/h9-18,22-27H,5-8H2,1-4H3/t9-,10-,11+,12-,13-,14+,15-,16+,17-,18-,20+,21+/m0/s1 |
| InChIKey | SPYAOTULQPJFGN-BHOSKJQJSA-N |
| Mol Weight | 432.5 g/mol |
| Molecular Formula | C21H36O9 |
| Exact Mass | 432.235933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LvMXL7yE4Kr |
|---|---|
| Name | DAUCUSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O9 |
| InChI | InChI=1S/C21H36O9/c1-9-5-11(28-18-17(26)16(25)15(24)12(8-22)29-18)14-10(9)6-21(27)13(23)7-20(14,4)30-19(21,2)3/h9-18,22-27H,5-8H2,1-4H3/t9-,10-,11+,12-,13-,14+,15-,16+,17-,18-,20+,21+/m0/s1 |
| InChIKey | SPYAOTULQPJFGN-BHOSKJQJSA-N |
| Literature Reference Author | H.W.FU,L.ZHANG,T.YI,Y.L.FENG,J.K.TIAN |
| Literature Reference Citation | FITOTERAPIA,81,443(2010) |
| Literature Reference DOI | 10.1016/j.fitote.2009.12.008 |
| Molecular Weight | 432.511 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMB1118 |