| SpectraBase Compound ID | 4Pu2YQEDw7F |
|---|---|
| InChI | InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15-,16?,17-,18-,19?,20?,21+,22+,23-,24-,25+/m0/s1 |
| InChIKey | DBODJJZRZFZBBD-UHFFFAOYSA-N |
| Mol Weight | 451.6 g/mol |
| Molecular Formula | C25H41NO6 |
| Exact Mass | 451.293388 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3eAy2kfQXts |
|---|---|
| Name | Chasmanine |
| CAS Registry Number | 5066-78-4 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H41NO6 |
| InChI | InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15-,16?,17-,18-,19?,20?,21+,22+,23-,24-,25+/m0/s1 |
| InChIKey | DBODJJZRZFZBBD-UHFFFAOYSA-N |
| Molecular Weight | 451.604 g/mol |
| SMILES | OC1[C@@]2([C@]3([C@@]45[C@@]6(C([C@]([C@@]2(C[C@@]([C@@]1(C3)[H])(OC)[H])O)([C@]4(N(C[C@@]6(CCC5OC)COC)CC)[H])[H])OC)[H])[H])[H] |
| SPLASH | splash10-00di-0000900000-177a47370f5ae4e8361d |
| Source of Spectrum | CD-281-0-0 |
| Synonyms | 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol |
| Wiley ID | 1387977 |