| SpectraBase Spectrum ID |
DaxG1hjnrvA |
| Name |
Mitraciliatine |
| CAS Registry Number |
4098-40-2 |
| Classification |
Kratom alkaloid |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
398.220557450 u |
| Formula |
C23H30N2O4 |
| InChI |
InChI=1S/C23H30N2O4/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/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13- |
| InChIKey |
LELBFTMXCIIKKX-LGMDPLHJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
398.503 g/mol |
| Nominal Mass |
398 u |
| Quality |
943 |
| Retention Index |
3289 |
| SMILES |
C12C3=C(C=4C(N3)=CC=CC4OC)CCN2CC(C(C1)\C(C(OC)=O)=C\OC)CC |
| SPLASH |
splash10-0002-1579000000-f3c58bd43f2dd8de219c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 2-(3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-\rmethoxyprop-2-enoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005377 |
