| SpectraBase Compound ID | 9DSXFmeQOD1 |
|---|---|
| InChI | InChI=1S/C26H39NO7/c1-6-27-11-24(12-31-3)8-7-17(29)26-15-9-14-16(32-4)10-25(30,18(15)20(14)34-13(2)28)19(23(26)27)21(33-5)22(24)26/h14-16,18-23,30H,6-12H2,1-5H3/t14-,15-,16+,18-,19+,20+,21+,22-,23-,24+,25-,26+/m1/s1 |
| InChIKey | YQBHWJRFLAJTJR-XNYJDWOFSA-N |
| Mol Weight | 477.6 g/mol |
| Molecular Formula | C26H39NO7 |
| Exact Mass | 477.272653 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ExR80YFovHl |
|---|---|
| Name | 14-Acetyl-1-dehydroneoline |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H39NO7 |
| InChI | InChI=1S/C26H39NO7/c1-6-27-11-24(12-31-3)8-7-17(29)26-15-9-14-16(32-4)10-25(30,18(15)20(14)34-13(2)28)19(23(26)27)21(33-5)22(24)26/h14-16,18-23,30H,6-12H2,1-5H3/t14-,15-,16+,18-,19+,20+,21+,22-,23-,24+,25-,26+/m1/s1 |
| InChIKey | YQBHWJRFLAJTJR-XNYJDWOFSA-N |
| Molecular Weight | 477.598 g/mol |
| SMILES | O[C@]12[C@@]3([C@]([C@]45[C@]6([C@@]1([C@@]([C@@]5([C@@](CN6CC)(COC)CCC4=O)[H])(OC)[H])[H])[H])(C[C@]([C@@](OC)(C2)[H])([C@@]3(OC(=O)C)[H])[H])[H])[H] |
| SPLASH | splash10-0006-9100000000-ee3e960bd6f92443e16f |
| Source of Spectrum | X2-52-150-12 |
| Wiley ID | 1603017 |