Description
Pelirine is isolated from the roots of Rauvolfia verticillata.
Synonyms
10-Methoxyepiaffinine
IUPAC Name
15-ethylidene-18-(hydroxymethyl)-6-methoxy-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4(9),5,7-tetraen-12-one
Molecular Formula
C21H26N2O3
Canonical SMILES
CC=C1CN(C2CC3=C(C(=O)CC1C2CO)NC4=C3C=C(C=C4)OC)C
InChI
InChI=1S/C21H26N2O3/c1-4-12-10-23(2)19-8-16-15-7-13(26-3)5-6-18(15)22-21(16)20(25)9-14(12)17(19)11-24/h4-7,14,17,19,22,24H,8-11H2,1-3H3
InChIKey
MFJKLERWGHCFMH-UHFFFAOYSA-N
Boiling Point
540.6±50.0°C (Predicted)
Melting Point
130-131°C (water methanol )
Density
1.240±0.06 g/cm3(Predicted)
pKa
14.70±0.10(Predicted)