(S)-canadine

(<i>S</i>)-canadine




Chemical Formula:
C20H21NO4
Molecular Weight:
339.39 Daltons
Monoisotopic Mass:
339.1470581677 Daltons
SMILES:
C2(CC1(=CC5(OCOC(C=C1[CH]3(CC4(C=CC(OC)=C(OC)C(CN23)=4)))=5)))
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

Synonyms
  • (S)-tetrahydroberberine
  • (S)-tetrahydroprotoberberine
  • (13aS)-5, 8, 13, 13a-tetrahydro-9, 10-dimethoxy-6H-benzo[g] -1,3-benzodioxolo[5, 6-a]quinolizine

Databases
MetaCyc:  S-TETRAHYDROBERBERINE
ChEBI:  16592
PubChem (CID):  21171
MetaboLights:  MTBLC22998
ChemSpider:  31709
KEGG:  C03329
CAS:  5096-57-1
RefMet:  (S)-Canadine
Seed:  cpd02117
MetaNetX:  MNXM1610