Magnoflorine styphnate

(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol;3-hydroxy-2,4,6-trinitrophenolate

Also Known As: Magnoflorine styphnate|4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)-, salt with 2,4,6-trinitro-1,3-benzenediol (1:1)|(6aS)-1,11-Dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium 3-hydroxy-2,4,6-trinitrophenolate

Molecular Formula	C26H26N4O12
Molecular Weight	586.1547 g/mol
LogP	3.2021
Topological Polar Surface Area	231.63 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	586.1547
Monoisotopic Mass	586.1547
Heavy Atoms	42
Complexity	1615.1439

Chemical Identifiers

CAS Number	2140-90-1
SMILES	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])O)[N+](=O)[O-]