Description
4,R-ajmalicine N-oxide is an alkaloid isolated from Catharanthus roseus.
Synonyms
Methyl (4S,4aR,13bS,14aS)-4-methyl-4a,5,7,8,13,13b,14,14a-octahyd ro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizine-1-carboxylate 6-oxide
Molecular Formula
C21H24N2O4
Canonical SMILES
CC1C2C[N+]3(CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45)[O-]
InChI
InChI=1S/C21H24N2O4/c1-12-16-10-23(25)8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-27-12)21(24)26-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-,23?/m0/s1
InChIKey
FEPWCBNZAPJQDK-PBYQAJJJSA-N
pKa
15.38±0.60(Predicted)