| SpectraBase Compound ID | Gpw9EG5fPXz |
|---|---|
| InChI | InChI=1S/C28H45N3O2S/c1-21(14-16-28(7)23(3)12-9-13-24(28)4)10-8-11-22(2)15-18-34(32,33)19-17-29-27-30-25(5)20-26(6)31-27/h10,12,15,20,24H,8-9,11,13-14,16-19H2,1-7H3,(H,29,30,31)/b21-10+,22-15+ |
| InChIKey | KLXXDZWPIBSGEJ-FSLHBWSISA-N |
| Mol Weight | 487.7 g/mol |
| Molecular Formula | C28H45N3O2S |
| Exact Mass | 487.323249 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9SQT8yS1A2a |
|---|---|
| Name | Agelasidine C - 3',5'-dimethylpyrimidine derivative |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H45N3O2S |
| InChI | InChI=1S/C28H45N3O2S/c1-21(14-16-28(7)23(3)12-9-13-24(28)4)10-8-11-22(2)15-18-34(32,33)19-17-29-27-30-25(5)20-26(6)31-27/h10,12,15,20,24H,8-9,11,13-14,16-19H2,1-7H3,(H,29,30,31)/b21-10+,22-15+ |
| InChIKey | KLXXDZWPIBSGEJ-FSLHBWSISA-N |
| Molecular Weight | 487.747 g/mol |
| SMILES | N(c1nc(C)cc(n1)C)CCS(=O)(=O)C\C=C\(CC\C=C\(CCC1(C(=CCCC1C)C)C)C)C |
| SPLASH | splash10-0ue9-3941000000-cc80338c2e409d79b2ca |
| Source of Spectrum | X2-55-393-4 |
| Wiley ID | 1604429 |