| SpectraBase Compound ID | 3uIJVrWGkrG |
|---|---|
| InChI | InChI=1S/C28H45N3O3S/c1-21(13-15-28(6)22(2)10-8-11-23(28)3)9-7-12-26(20-32)14-17-35(33,34)18-16-29-27-30-24(4)19-25(5)31-27/h9-10,14,19,23,32H,7-8,11-13,15-18,20H2,1-6H3,(H,29,30,31)/b21-9+,26-14- |
| InChIKey | RHAXTQDJNKPUBJ-AQNRETSKSA-N |
| Mol Weight | 503.7 g/mol |
| Molecular Formula | C28H45N3O3S |
| Exact Mass | 503.318163 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H7PSfhVvqgk |
|---|---|
| Name | Agelasidine D - 3',5'-dimethylpyrimidine derivative |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H45N3O3S |
| InChI | InChI=1S/C28H45N3O3S/c1-21(13-15-28(6)22(2)10-8-11-23(28)3)9-7-12-26(20-32)14-17-35(33,34)18-16-29-27-30-24(4)19-25(5)31-27/h9-10,14,19,23,32H,7-8,11-13,15-18,20H2,1-6H3,(H,29,30,31)/b21-9+,26-14- |
| InChIKey | RHAXTQDJNKPUBJ-AQNRETSKSA-N |
| Molecular Weight | 503.746 g/mol |
| SMILES | N(c1nc(C)cc(n1)C)CCS(C\C=C/(CO)CC\C=C\(CCC1(C(=CCCC1C)C)C)C)(=O)=O |
| SPLASH | splash10-0udi-2930000000-c4804f6d276c50d2347f |
| Source of Spectrum | X2-55-393-6 |
| Wiley ID | 1604428 |