Perakine

CAS	4382-56-3
Structure
Synonyms	(13R)-13-Acetyloxy-7aα,2α,6α-ethan[1]yl[2]ylidene-1,2,3,4,6,7,7a,12bβ-octahydro-4α-methylindolo[2,3-a]quinolizine-3β-carbaldehyde
IUPAC Name	[(1R,10S,13R,14S,16S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
Molecular Weight	350.42
Molecular Formula	C21H22N2O3
Canonical SMILES	C[C@H]1[C@@H](C2C[C@@H]3N1[C@@H]4C2[C@H]([C@@]5(C4)C3=NC6=CC=CC=C56)OC(=O)C)C=O
InChI	InChI=1S/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12?,13-,16-,17-,18?,20+,21+/m0/s1
InChI Key	GDXJMOGWONJRHL-HWUILILVSA-N
Boiling Point	492.8±45.0 °C
Melting Point	186 °C
Purity	98%
Density	1.59±0.1 g/ml
pKa	5.38±0.70
Appearance	Powder