Thalmine

(12S,25S)-5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaen-4-ol

Also Known As: Thalmine|6,7',12-Trimethoxy-2,2'-dimethylthalman-6'-ol|6,7 ,12-Trimethoxy-2,2 -dimethylthalman-6 -ol|1-((5S)-2-(3-furyl)-5-methyl-cyclopenten-1-yl)-3-methyl-but-2-en-1-one|(1~1~S,3~1~S)-1~7~,3~6~,5~4~-Trimethoxy-1~2~,3~2~-dimethyl-1~1~,1~2~,1~3~,1~4~,3~1~,3~2~,3~3~,3~4~-octahydro-2,6-dioxa-1(5,1),3(7,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphan-1~6~-ol|(12S,25S)-5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo(23.6.2.214,17.119,23.03,8.07,12.029,33)hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaen-4-ol|(12S,25S)-5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaen-4-ol|(12S,25S)-5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaen-4-ol|1H-8,9,13-(1,3)Butadien(1)yl(4)ylidene-4,6:15,18-dietheno-20,24-metheno-10H-pyrido(2,3-t)(1,13,6)dioxaazacyclotricosin-32-ol, 2,3,11,12,13,14,25,25a-octahydro-21,31,33-trimethoxy-1,12-dimethyl-, (13S,25aS)-

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	7682-65-7
SMILES	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC
InChIKey	CASHVZNATRNXDE-KYJUHHDHSA-N