| SpectraBase Compound ID | 1Ts39TdeLE1 |
|---|---|
| InChI | InChI=1S/C33H40O8/c1-7-20(2)15-16-32(6)21(3)17-28(36)33-26(30(38-22(4)34)41-31(33)39-23(5)35)18-25(19-27(32)33)40-29(37)14-13-24-11-9-8-10-12-24/h7-15,18,21,25,27-28,30-31,36H,1,16-17,19H2,2-6H3/b14-13+,20-15+/t21-,25-,27+,28+,30+,31+,32-,33-/m0/s1 |
| InChIKey | KMQGWLRBSADAJN-NPDWUHGGSA-N |
| Mol Weight | 564.7 g/mol |
| Molecular Formula | C33H40O8 |
| Exact Mass | 564.272318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FpSPsNlnozt |
|---|---|
| Name | 6-BETA-HYDROXYZUELANIN-2-ALPHA-CINNAMATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O8 |
| InChI | InChI=1S/C33H40O8/c1-7-20(2)15-16-32(6)21(3)17-28(36)33-26(30(38-22(4)34)41-31(33)39-23(5)35)18-25(19-27(32)33)40-29(37)14-13-24-11-9-8-10-12-24/h7-15,18,21,25,27-28,30-31,36H,1,16-17,19H2,2-6H3/b14-13+,20-15+/t21-,25-,27+,28+,30+,31+,32-,33-/m0/s1 |
| InChIKey | KMQGWLRBSADAJN-NPDWUHGGSA-N |
| Literature Reference Author | M.R.KHAN,A.I.GRAY,P.G.WATERMAN |
| Literature Reference Citation | PHYTOCHEM.,29,2939(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)87110-G |
| Molecular Weight | 564.676 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17733 |