Thalicberan-12-ol, 2,2'-dimethyl-6,7,7'-trimethoxy-
(3S,21S)-10,15,16-trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(32),7(36),8,10,13,15,17(35),23(34),24,26,29(33),30-dodecaen-26-ol
Also Known As: Thalicberin|Thalicberine|Thalicberan-12-ol, 2,2'-dimethyl-6,7,7'-trimethoxy-|2,2'-Dimethyl-6,7,7'-trimethoxythalicberan-12-ol|(1~1~S,3~1~S)-1~7~,3~5~,3~6~-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(6,1),3(8,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphan-5~4~-ol|(3S,21S)-10,15,16-trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo(27.2.2.17,11.113,17.123,27.03,8.021,35)hexatriaconta-1(32),7(36),8,10,13,15,17(35),23(34),24,26,29(33),30-dodecaen-26-ol|(3S,21S)-10,15,16-trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(32),7(36),8,10,13,15,17(35),23(34),24,26,29(33),30-dodecaen-26-ol
| 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 | 602-83-5 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C=C7O3)OC)OC)O)OC |
| InChIKey | LHHQCRRWQAFSJM-VMPREFPWSA-N |
Product Overview
Thalicberan-12-ol, 2,2'-dimethyl-6,7,7'-trimethoxy- (CAS 602-83-5), with molecular formula C37H40N2O6 and molecular weight 608.28864 g/mol. IUPAC: (3S,21S)-10,15,16-trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(32),7(36),8,10,13,15,17(35),23(34),24,26,29(33),30-dodecaen-26-ol.