Thalistine

(1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(6S)-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl]phenoxy]phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol

Also Known As: thalistine|J1.669.259J|(1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(6S)-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl]phenoxy]phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol|5-Isoquinolinol, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-methoxy-3-(4-(((6S)-6,7,8,9-tetrahydro-4-methoxy-7-methyl-1,3-dioxolo(4,5-f)isoquinolin-6-yl)methyl)phenoxy)phenyl)methyl)-2-methyl-, (1S)-|(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(6S)-6,7,8,9-tetrahydro-4-methoxy-7-methyl-1,3-dioxolo[4,5-f]isoquinoline-6-yl]methyl]phenoxy]phenyl]methyl]-2-methylisoquinoline-5-ol|(1S)-6,7-dimethoxy-1-((4-methoxy-3-(4-(((6S)-4-methoxy-7-methyl-8,9-dihydro-6H-(1,3)dioxolo(4,5-f)isoquinolin-6-yl)methyl)phenoxy)phenyl)methyl)-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol|(1S)-6,7-DIMETHOXY-1-{[4-METHOXY-3-(4-{[(6S)-4-METHOXY-7-METHYL-2H,6H,7H,8H,9H-[1,3]DIOXOLO[4,5-F]ISOQUINOLIN-6-YL]METHYL}PHENOXY)PHENYL]METHYL}-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-5-OL|(1S)-6,7-Dimethoxy-1-{[4-methoxy-3-(4-{[(6S)-4-methoxy-7-methyl-6,7,8,9-tetrahydro-2H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)phenyl]methyl}-2-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol

Molecular Formula	C39H44N2O8
Molecular Weight	668.30975 g/mol
LogP	6.5
Topological Polar Surface Area	91.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	668.30975
Monoisotopic Mass	668.30975
Heavy Atoms	49
Complexity	1050.0

Chemical Identifiers

CAS Number	75352-25-9
SMILES	CN1CCC2=C3C(=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C(=C7CCN6C)O)OC)OC)OC)OC)OCO3
InChIKey	OLUBXTYZCRTRJK-CONSDPRKSA-N