| SpectraBase Spectrum ID |
JJUrkbem4y8 |
| Name |
Speciociliatine |
| Classification |
Herbal drug |
| 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+/t14-,16+,19-/m1/s1 |
| InChIKey |
LELBFTMXCIIKKX-MYLQJJOTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
398.503 g/mol |
| Nominal Mass |
398 u |
| Quality |
908 |
| Retention Index |
3128 |
| SMILES |
[C@@]12(C3=C(C=4C(N3)=CC=CC4OC)CCN2C[C@]([C@](C1)(\C(C(OC)=O)=C/OC)[H])(CC)[H])[H] |
| SPLASH |
splash10-03ea-2973000000-e7abcd1132c3b9767ad0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2E)-2-((2S,3S,12bR)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-\r2-yl)-3-methoxyprop-2-enoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025402 |
