| SpectraBase Compound ID | 8rmHSzIkmpz |
|---|---|
| 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-DHPPMDKJSA-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 | A7eRNVhDaDD |
|---|---|
| Name | Lycoctonine |
| Alternate Name(s) | 20-ethyl-4-(hydroxymethyl)-1,6,14,16-tetramethoxyaconitane-7,8-diol |
| 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-DHPPMDKJSA-N |
| Molecular Weight | 467.603 g/mol |
| SMILES | OC[C@@]12CN([C@]3([C@@]4(C5C[C@]6(C([C@@]5([C@@]([C@]3(C([C@]14[H])OC)O)(C[C@]6(OC)[H])O)[H])OC)[H])C(CC2)OC)[H])CC |
| SPLASH | splash10-000i-0000900000-ed9aa91af5bbf7a1f98e |
| Source of Spectrum | X4-21-496-0 |
| Wiley ID | 1585891 |