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Canadine

View entire compound with spectra: 12 NMR, 1 FTIR, and 11 MS (GC)

Canadine
SpectraBase Compound ID 2LKqWJpwK1E
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
InChIKey VZTUIEROBZXUFA-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqdpUHeGeZ
Name 5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine
CAS Registry Number 29074-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
InChIKey VZTUIEROBZXUFA-UHFFFAOYSA-N
Molecular Weight 339.391 g/mol
SMILES COc1c2c(CC3N(C2)CCc2c3cc3OCOc3c2)ccc1OC
SPLASH splash10-03ds-0903000000-14ecbd39e43e463e0155
Source of Spectrum E2-48-404-16
Synonyms 9,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline (+)-Canadine (+-)-Tetrahydroberberine (-)-Canadine (.+-.)-Canadine (.+-.)-Tetrahydroberberine (.+/-.)-Canadine 5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)benzo-1,3-dioxolo(5,6-a)quinolizine (13aS)-5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine 6H-benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine, 5,8,13,13a-tetrahydro-9,10,dimethoxy-, (+-)- (S)-Canadine 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy- 5,6,13,13a-tetrahydro-9,10-dimethoxy-2,3-(methylenedioxy)-8H-dibenzo(a,g)quinolizine Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (+-)- Berberine, tetrahydro- Berbine, 9,10-dimethoxy-2,3-(methylenedioxy)- 6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (13aS)- Berbine, 9,10-dimethoxy-2,3-(methylenedioxy)-, (+-)- 9,10-Dimethoxy-2,3-(methylenedioxy)berbine Canadin Canadine Canadine (DL-) Canadine DL-form Canadine, (+-)- DL-canadine Isoquinolino[2,1-b]isoquinoline, 5,6,7,8,13,13a-hexahydro-2,3-methylenedioxy-9,10-dimethoxy- Tetrahydroberberine Canadine L-form Xanthopuccine EINECS 208-338-2 NSC 36351 NSC 94918 EINECS 225-815-0
Wiley ID 1555169