Description
(16R)-E-Isositsirikine is an alkaloid isolated from Catharanthus roseus.
Synonyms
Isositsirikine; Isositskiakine isomer K060; 16-epi-Isositsirikine
IUPAC Name
methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
Molecular Formula
C21H26N2O3
Canonical SMILES
CC=C1CN2CCC3=C(C2CC1C(CO)C(=O)OC)NC4=CC=CC=C34
InChI
InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3-/t16-,17-,19-/m0/s1
InChIKey
RGXKJLTVROJBKZ-LZNZQLKFSA-N
Boiling Point
558.9±50.0°C (Predicted)
Density
1.26±0.1 g/cm3(Predicted)
pKa
14.29±0.10(Predicted)