Fetidine

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

Also Known As: Fetidine|O1-Demethylthalirevolutine|SureCN2989372|J2.452.698D|(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol|(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxy-phenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol|(6aS)-9-(6-(((1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2,3-dimethoxy-phenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-1-ol|(6aS)-9-(6-(((1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2,3-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-ol|(6aS)-9-(6-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol|(6aS)-9-[2,3-Dimethoxy-6-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline-1-yl]methyl]phenoxy]-5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-1-ol|(6aS)-9-[6-[[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline-1-yl]methyl]-2,3-dimethoxyphenoxy]-5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-1-ol|(9S)-5-(6-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dimethoxyphenoxy)-4,15-dimethoxy-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	C40H46N2O8
Molecular Weight	682.32544 g/mol
LogP	6.3
Topological Polar Surface Area	91.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	682.32544
Monoisotopic Mass	682.32544
Heavy Atoms	50
Complexity	1100.0

Chemical Identifiers

CAS Number	7072-86-8
SMILES	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC
InChIKey	IBHSRCBKJMEBQB-VMPREFPWSA-N