| SpectraBase Compound ID | LP6YQw7lcE3 |
|---|---|
| InChI | InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1 |
| InChIKey | YOTUXHIWBVZAJQ-DIZROUMASA-N |
| Mol Weight | 467.6 g/mol |
| Molecular Formula | C25H41NO7 |
| Exact Mass | 467.288303 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KTqZF7OHoFQ |
|---|---|
| Name | 18-Hydroxy-14-methoxy-13-norpseudaconine-20-ium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H41NO7 |
| InChI | InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1 |
| InChIKey | YOTUXHIWBVZAJQ-DIZROUMASA-N |
| Molecular Weight | 467.603 g/mol |
| SMILES | OC[C@]12CN([C@]3([C@@]4([C@@]5(C[C@]6([C@@]([C@@]5([C@@]([C@]3([C@]([C@]14[H])(OC)[H])O)(C[C@@]6(OC)[H])O)[H])(OC)[H])[H])[H])[C@](CC2)(OC)[H])[H])CC |
| SPLASH | splash10-0a4r-0000900000-6278070b247eb1d0af2a |
| Source of Spectrum | E2-52-1097-12 |
| Wiley ID | 1556504 |