(+)-Candicusine
(1R,14R)-20,25-dimethoxy-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-dodecaene-6,21-diol
Also Known As: Candicusine|(+)-candicusine|Morphenol|Candicusine, (+)-|(+)-12-O-Demethyllimacusine|NCGC00013980-02|NCGC00097089-01|(1R,14R)-20,25-Dimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo(22.6.2.2(9,12).1(3,7).1(14,18).0(27,31).0(22,33))hexatriaconta-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-dodecaene-6,21-diol|2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinoline-9,22-diol, 3,4,4a,5,16a,17,18,19-octahydro-21,26-dimethoxy-4,17-dimethyl-, (4aR,16aR)-|Oxyacanthan-7,12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, (1alpha)-|OXYACANTHAN-7,12'-DIOL, 6,6'-DIMETHOXY-2,2'-DIMETHYL-, (1.ALPHA.)-
| Molecular Formula | C36H38N2O6 |
|---|---|
| Molecular Weight | 594.273 g/mol |
| LogP | 6.5564 |
| Topological Polar Surface Area | 83.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 594.273 |
| Monoisotopic Mass | 594.273 |
| Heavy Atoms | 44 |
| Complexity | 1719.4548 |
Chemical Identifiers
| CAS Number | 99945-41-2 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC |
Product Overview
(+)-Candicusine (CAS 99945-41-2), with molecular formula C36H38N2O6 and molecular weight 594.273 g/mol. IUPAC: (1R,14R)-20,25-dimethoxy-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-dodecaene-6,21-diol.