| SpectraBase Compound ID | C2L9nLdsgbB |
|---|---|
| InChI | InChI=1S/C28H32O12/c1-13(29)39-26-9-8-24(4)18(14-7-10-36-12-14)37-15(30)11-27(24,26)40-21-25(5)17(16(19(31)35-6)38-22(25)33)23(2,3)20(32)28(21,26)34/h7,10,12,16-18,21,34H,8-9,11H2,1-6H3/t16-,17+,18+,21-,24+,25-,26-,27-,28-/m1/s1 |
| InChIKey | GYWYYXYBSQIUSU-HYCRDVMYSA-N |
| Mol Weight | 560.6 g/mol |
| Molecular Formula | C28H32O12 |
| Exact Mass | 560.189376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGRMYjg4unl |
|---|---|
| Name | TRIJUGIN-E;2-BETA-HYDROXY-TRIJUGIN-C |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O12 |
| InChI | InChI=1S/C28H32O12/c1-13(29)39-26-9-8-24(4)18(14-7-10-36-12-14)37-15(30)11-27(24,26)40-21-25(5)17(16(19(31)35-6)38-22(25)33)23(2,3)20(32)28(21,26)34/h7,10,12,16-18,21,34H,8-9,11H2,1-6H3/t16-,17+,18+,21-,24+,25-,26-,27-,28-/m1/s1 |
| InChIKey | GYWYYXYBSQIUSU-HYCRDVMYSA-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 | 560.555 g/mol |
| Sample ID | 44022 |
| Solvent | CDCl3 |