Huangshanine

(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Also Known As: Huangshanine|(+)-Huangshanine|( )-Huangshanine|4H-Dibenzo(de,g)quinoline, 9-(2,3-dimethoxy-6-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-, (6aS)-|4H-Dibenzo(de,g)quinoline, 9-(2,3-dimethoxy-6-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-, (S-(R*,R*))-|(6aS)-9-(6-(((1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2,3-dimethoxyphenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline|(6aS)-9-(6-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dimethoxyphenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline|(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Molecular Formula	C42H50N2O9
Molecular Weight	726.3516 g/mol
LogP	6.6
Topological Polar Surface Area	89.6 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	726.3516
Monoisotopic Mass	726.3516
Heavy Atoms	53
Complexity	1170.0

Chemical Identifiers

CAS Number	88313-35-3
SMILES	CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=C(C=CC(=C5OC)OC)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC
InChIKey	AAMOLTQKZFTOCO-KYJUHHDHSA-N