| SpectraBase Compound ID | 3v0TJXlH4gN |
|---|---|
| InChI | InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13-,14-,15?,16-,17-,18?,19?,20-,21-,22+,23-,24+/m1/s1 |
| InChIKey | XRARAKHBJHWUHW-AKRIIRPZSA-N |
| Mol Weight | 437.6 g/mol |
| Molecular Formula | C24H39NO6 |
| Exact Mass | 437.277738 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2rOFUhR4dTo |
|---|---|
| Name | Neoline |
| Alternate Name(s) | 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)aconitane-1,8,14-triol |
| CAS Registry Number | 466-26-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H39NO6 |
| InChI | InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13-,14-,15?,16-,17-,18?,19?,20-,21-,22+,23-,24+/m1/s1 |
| InChIKey | XRARAKHBJHWUHW-AKRIIRPZSA-N |
| Molecular Weight | 437.577 g/mol |
| SMILES | OC1[C@@]2(C[C@]3([C@@]45[C@@]6(N(C[C@@]([C@]4(C([C@]6([C@@](C[C@]2(OC)[H])([C@@]13[H])O)[H])OC)[H])(CCC5O)COC)CC)[H])[H])[H] |
| SPLASH | splash10-00di-0000900000-317948921acf7d0fc680 |
| Source of Spectrum | X4-21-495-0 |
| Wiley ID | 1585835 |