RefChem:186122

(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;3-[(2R)-octan-2-yl]phthalic acid

Also Known As: l-2-Octyl phthalate, brucine salt|Strychnidin-10-one, 2,3-dimethoxy-, ((1R)-1-methylheptyl 1,2-benzenedicarboxylate) (1:1)|Strychnidin-10-one, 2,3-dimethoxy-, mono((1R)-1-methylheptyl 1,2-benzenedicarboxylate)|Strychnidin-10-one, 2,3-dimethoxy-, mono((R)-1-methylheptyl 1,2-benzenedicarboxylate)|Strychnidin-10-one, 2,3-dimethoxy-, mono[(1R)-1-methylheptyl 1,2-benzenedicarboxylate]|3-(Octan-2-yl)benzene-1,2-dicarboxylic acid--2,3-dimethoxystrychnidin-10-one (1/1)|3-[(2R)-Octan-2-yl]benzene-1,2-dicarboxylic acid--2,3-dimethoxystrychnidin-10-one (1/1)|Strychnidin-10-one, 2,3-dimethoxy-, [(1R)-1-methylheptyl 1,2-benzenedicarboxylate] (1:1)|Strychnidin-10-one, 2,3-dimethoxy-, mono[(R)-1-methylheptyl 1,2-benzenedicarboxylate]

Molecular Formula	C39H48N2O8
Molecular Weight	672.34106 g/mol
LogP	6.2666
Topological Polar Surface Area	126.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	672.34106
Monoisotopic Mass	672.34106
Heavy Atoms	49
Complexity	1110.0

Chemical Identifiers

CAS Number	68239-26-9
SMILES	CCCCCC[C@@H](C)C1=C(C(=CC=C1)C(=O)O)C(=O)O.COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC
InChIKey	AIGCMVGMKTZIPN-IOKCYJPOSA-N