| SpectraBase Compound ID | 7Eo4J4ZoLcx |
|---|---|
| InChI | InChI=1S/C20H22N2O10/c1-9-6-11(29-3)7-12(25)15(9)19(27)32-16-13(8-23)31-18(17(16)30-10(2)24)22-5-4-14(26)21-20(22)28/h4-7,13,16-18,23,25H,8H2,1-3H3,(H,21,26,28)/t13-,16-,17-,18-/m1/s1 |
| InChIKey | HAQMHDBEEOMBGX-BNEJOLLZSA-N |
| Mol Weight | 450.4 g/mol |
| Molecular Formula | C20H22N2O10 |
| Exact Mass | 450.127445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L7U4jazrhia |
|---|---|
| Name | Kipukasin C |
| Appearance | Colorless glass |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22N2O10 |
| InChI | InChI=1S/C20H22N2O10/c1-9-6-11(29-3)7-12(25)15(9)19(27)32-16-13(8-23)31-18(17(16)30-10(2)24)22-5-4-14(26)21-20(22)28/h4-7,13,16-18,23,25H,8H2,1-3H3,(H,21,26,28)/t13-,16-,17-,18-/m1/s1 |
| InChIKey | HAQMHDBEEOMBGX-BNEJOLLZSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070241l |
| Molecular Weight | 450.400 g/mol |
| SMILES | OC[C@@]1([C@]([C@]([C@](N2C(NC(C=C2)=O)=O)(O1)[H])(OC(C)=O)[H])(OC(c1c(cc(cc1O)OC)C)=O)[H])[H] |
| SPLASH | splash10-014i-0901000000-77a324b411767a15d5ab |
| Source of Spectrum | G4-70-1311-3 |
| Wiley ID | 1874629 |