| SpectraBase Spectrum ID |
JIVlbpZgQHw |
| Name |
Quinine-M (2OH) 3AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
484.220951371 u |
| Formula |
C26H32N2O7 |
| InChI |
InChI=1S/C26H32N2O7/c1-16(29)33-12-9-26(35-18(3)31)15-28-11-8-19(26)13-24(28)25(34-17(2)30)21-7-10-27-23-6-5-20(32-4)14-22(21)23/h5-7,10,14,19,24-25H,8-9,11-13,15H2,1-4H3/t19-,24-,25+,26+/m0/s1 |
| InChIKey |
GLGBBAFUFFEIOJ-HEEDUKKLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
484.549 g/mol |
| Nominal Mass |
484 u |
| Quality |
932 |
| Retention Index |
3800 |
| SMILES |
[C@]1([C@@]2(C[C@@]([C@@](C=3C=4C(=CC=C(C4)OC)N=CC3)(OC(=O)C)[H])(N(C1)CC2)[H])[H])(OC(=O)C)CCOC(=O)C |
| SPLASH |
splash10-004i-2952800000-b5647d2b52d79d0dddee |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
((5S)-5-(acetyloxy)-5-(2-(acetyloxy)ethyl)-1-azabicyclo[2.2.2]oct-2-yl)(6-methoxyquinolin-4-yl)\rmethyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003836 |
