(S)-N-methylcanadine

(<i>S</i>)-<i>N</i>-methylcanadine




Chemical Formula:
C21H24NO4
Molecular Weight:
354.425 Daltons
Monoisotopic Mass:
354.17053326399997 Daltons
SMILES:
C[N+]34([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))CC5(C=CC(=C(C(C4)=5)OC)OC))
InChI:
1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22?/m0/s1
InChIKey:
IPABSWBNWMXCHM-LBOXEOMUSA-N

Databases
MetaCyc:  S-N-METHYLCANADINE
ChEBI:  16512
ChemSpider:  388888
PubChem (CID):  439844
KEGG:  C02915
RefMet:  (S)-N-Methylcanadine (S)-N-methylcanadine
Seed:  cpd01863
MetaNetX:  MNXM2450