| SpectraBase Compound ID | CRF47K7PJih |
|---|---|
| InChI | InChI=1S/C19H22N2O9/c1-9-6-10(27-2)7-11(28-3)14(9)18(25)30-16-15(24)12(8-22)29-17(16)21-5-4-13(23)20-19(21)26/h4-7,12,15-17,22,24H,8H2,1-3H3,(H,20,23,26)/t12-,15-,16-,17-/m1/s1 |
| InChIKey | DOVSRUBRIYLZCI-BASLNEPJSA-N |
| Mol Weight | 422.39 g/mol |
| Molecular Formula | C19H22N2O9 |
| Exact Mass | 422.13253 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | V0WzIEfenz |
|---|---|
| Name | Kipukasin E |
| Appearance | Colorless glass |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H22N2O9 |
| InChI | InChI=1S/C19H22N2O9/c1-9-6-10(27-2)7-11(28-3)14(9)18(25)30-16-15(24)12(8-22)29-17(16)21-5-4-13(23)20-19(21)26/h4-7,12,15-17,22,24H,8H2,1-3H3,(H,20,23,26)/t12-,15-,16-,17-/m1/s1 |
| InChIKey | DOVSRUBRIYLZCI-BASLNEPJSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070241l |
| Molecular Weight | 422.390 g/mol |
| SMILES | O[C@]1([C@]([C@](N2C(NC(C=C2)=O)=O)(O[C@@]1(CO)[H])[H])(OC(c1c(cc(cc1OC)OC)C)=O)[H])[H] |
| SPLASH | splash10-00or-4902000000-41e86df30f19b67b38c0 |
| Source of Spectrum | G4-70-1311-5 |
| Wiley ID | 1874631 |