Preocoteine

(6aS)-2,3,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

Also Known As: Preocoteine|(6aS)-2,3,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol|(6aS)-2,3,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-ol|(6aS)-5,6,6a,7-Tetrahydro-2,3,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolin-1-ol|2,3,9,10-Tetramethoxy-6-methyl-5,6,6aalpha,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol|(9S)-4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaen-16-ol

Molecular Formula	C21H25NO5
Molecular Weight	371.17328 g/mol
LogP	3.0
Topological Polar Surface Area	60.4 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	371.17328
Monoisotopic Mass	371.17328
Heavy Atoms	27
Complexity	519.0

Chemical Identifiers

CAS Number	18161-86-9
SMILES	CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)O)OC)OC
InChIKey	XTOKXEQMTBIOGT-AWEZNQCLSA-N