| SpectraBase Spectrum ID |
DnOrUiM4qIK |
| Name |
Canadine |
| CAS Registry Number |
522-97-4 |
| Classification |
Plant ingredient, benzylisoquinoline alkaloid |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
339.147058156 u |
| Formula |
C20H21NO4 |
| InChI |
InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1 |
| InChIKey |
VZTUIEROBZXUFA-INIZCTEOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
339.391 g/mol |
| Nominal Mass |
339 u |
| Quality |
991 |
| Retention Index |
2681 |
| SMILES |
[C@]12(C=3C(=CC4=C(C3)OCO4)CCN2CC=2C(C1)=CC=C(C2OC)OC)[H] |
| SPLASH |
splash10-01pa-1903000000-34dcee22275c07b0385d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(S)-Tetrahydroberberine
(1R)-16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9, \r15(20),16,18-hexaene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027607 |
