Oxycanthine

20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol

Also Known As: Oxyacanthine|Oxycanthine|N-Methylsepeerine|N-Methylocoteamine|Vinetine|Vovkin 9|trimethoxy(dimethyl)[?]ol|EINECS 208-946-8|6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol|NCI60_015453|6,6'7-Trimethoxy-2,2'-dimethyl-Oxyacanthan-12'-ol|Oxyacanthan-12'-ol,6',7-trimethoxy-2,2'-dimethyl-|6,6',7-Trimethoxy-2,2'-dimethyl-oxyacanthan-12'-ol|6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol #|6,6'7'-Trimethoxy-2,2'-dimethyl-Oxyacanthan-12'-ol|Oxyacanthan-12'-ol,6',7'-trimethoxy-2,2'-dimethyl-|Oxyacanthan-12'-ol, 6,6',7'-trimethoxy-2,2'-dimethyl-|20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo(22.6.2.29,12.13,7.114,18.027,31.022,33)hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol|20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2<9 ,12>.1<3,7>.1<14,18>.0<22,36>.0<27,31>]hexatriaconta-3,5,7(35),9,11,18(36),19, 21,24(32),25,27(31),33-dodecaen-6-ol|6,21-Dioxa-13,28-diazaheptacyclo[3.25.1(27,5).0(1,31).2(7.14).0(10,33).1(16.20).2(22.25)]hexatriacontan-1,3,5,7,9,16,18,20,22,24,33,36-dodecaene, 13,28-dimethyl-19-hydroxy-3,4,8-tris(methoxy)-

Molecular Formula	C37H40N2O6
Molecular Weight	608.28864 g/mol
LogP	6.3
Topological Polar Surface Area	72.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	608.28864
Monoisotopic Mass	608.28864
Heavy Atoms	45
Complexity	963.0

Chemical Identifiers

CAS Number	5531-33-9
SMILES	CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC
InChIKey	HGNHIFJNOKGSKI-UHFFFAOYSA-N