| SpectraBase Compound ID | 6M7KHe11lX7 |
|---|---|
| InChI | InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13?,16-,20-,21?/m1/s1 |
| InChIKey | RNNVXCSFOWGBQP-HOVRZMKWSA-N |
| Mol Weight | 423.46 g/mol |
| Molecular Formula | C21H29NO8 |
| Exact Mass | 423.189317 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | At23Qmr0FMD |
|---|---|
| Name | Ligularizine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29NO8 |
| InChI | InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13?,16-,20-,21?/m1/s1 |
| InChIKey | RNNVXCSFOWGBQP-HOVRZMKWSA-N |
| Molecular Weight | 423.462 g/mol |
| SMILES | C12(OC2C)C(O[C@]2(C(\C(=C/CN(CC2)C)COC([C@@]([C@@](C1)(C)[H])(OC(=O)C)C)=O)=O)[H])=O |
| SPLASH | splash10-01p6-8956100000-2c090e229f57c508fab1 |
| Source of Spectrum | Y4-89-389-4 |
| Wiley ID | 1550353 |