| SpectraBase Spectrum ID |
JHk31yze9T6 |
| Name |
Mitragynine-A (-2H) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
396.204907386 u |
| Formula |
C23H28N2O4 |
| InChI |
InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-10,13-14,16,19,24H,5,11-12H2,1-4H3/b17-13-/t14-,16+,19+/m1/s1 |
| InChIKey |
ZZVOSOMFIJUPQK-SUCIZOKWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
396.487 g/mol |
| Nominal Mass |
396 u |
| Quality |
895 |
| Retention Index |
3368 |
| SMILES |
[C@@]1([C@@](CN2[C@](C3=C(C=4C(N3)=CC=CC4OC)C=C2)(C1)[H])(CC)[H])(\C(C(OC)=O)=C\OC)[H] |
| SPLASH |
splash10-0002-0598000000-9d86ca408c8ff6dd167b |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2Z)-2-((2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-\r2-yl)-3-methoxyprop-2-enoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002466 |
