| SpectraBase Spectrum ID |
CPxWCr9zqdH |
| Name |
Ajmalicine |
| CAS Registry Number |
483-04-5 |
| Classification |
Kratom alkaloid |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
352.178692638 u |
| Formula |
C21H24N2O3 |
| InChI |
InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15+,16-,19+/m1/s1 |
| InChIKey |
GRTOGORTSDXSFK-XIEZEKGWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
352.434 g/mol |
| Nominal Mass |
352 u |
| Quality |
855 |
| Retention Index |
2989 |
| SMILES |
[C@@]12([C@](CN3[C@](C4=C(C=5C(N4)=CC=CC5)CC3)(C2)[H])([C@](OC=C1C(OC)=O)(C)[H])[H])[H] |
| SPLASH |
splash10-0zfr-2912000000-1f7acd5c802aa272d85c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Alkaloid
Raubasin
Tetrahydroserpentin
delta-Yohimbin
Methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20] \rhenicosa-2(10),4,6,8,18-pentaene-19-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000057 |
