| SpectraBase Compound ID | K2UfQxL84SV |
|---|---|
| InChI | InChI=1S/C28H32O11/c1-13(29)38-27-9-8-25(4)20(14-7-10-35-12-14)36-15(30)11-28(25,27)39-21-16(27)19(31)24(2,3)18-17(22(32)34-6)37-23(33)26(18,21)5/h7,10,12,16-18,20-21H,8-9,11H2,1-6H3/t16-,17+,18-,20-,21-,25-,26+,27-,28+/m0/s1 |
| InChIKey | KCUDJAHQSKFKLX-WACAFCOXSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C28H32O11 |
| Exact Mass | 544.194462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28EQwa4lq5P |
|---|---|
| Name | TRIJUGIN-D;8-O-ACETYL-TRIJUGIN-C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O11 |
| InChI | InChI=1S/C28H32O11/c1-13(29)38-27-9-8-25(4)20(14-7-10-35-12-14)36-15(30)11-28(25,27)39-21-16(27)19(31)24(2,3)18-17(22(32)34-6)37-23(33)26(18,21)5/h7,10,12,16-18,20-21H,8-9,11H2,1-6H3/t16-,17+,18-,20-,21-,25-,26+,27-,28+/m0/s1 |
| InChIKey | KCUDJAHQSKFKLX-WACAFCOXSA-N |
| Literature Reference Author | X.N.WANG,C.Q.FAN,S.YIN,L.S.GAN,J.M.YUE |
| Literature Reference Citation | PHYTOCHEM.,69,1319(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.01.018 |
| Molecular Weight | 544.555 g/mol |
| Sample ID | 44021 |
| Solvent | CDCl3 |