OBABERINE
(1R,14S)-6,20,21,25-tetramethoxy-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
Also Known As: OBABERINE|(+)-obaberine|Oxyacanthan, 6,6'7,12'-tetramethoxy-2,2'-dimethyl-|6,6',7,12'-tetramethoxy-2,2'-dimethyloxyacanthan|6,6 ,7,12 -Tetramethoxy-2,2 -dimethyloxyacanthan|(+)-6,6 ,7,12 -Tetramethoxy-2,2 -dimethyloxyacanthan|(1R,14S)-6,20,21,25-tetramethoxy-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|O(C)c1c(OC)cc2CCN(C)C3Cc4ccc(cc4)Oc5cc(ccc5OC)CC6N(C)CCc7cc(OC)c(Oc1c23)cc67|(1R,14S)-6,20,21,25-tetramethoxy-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|(1R,14S)-6,20,21,25-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24,26,31,34-dodecaene|(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,22,26-tetramethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinoline|2-((2-(dimethylamino)-3-methyl-butanoyl)amino)-N-(2-methoxy-4-(2-(1-methoxy-2-methyl-3-oxo-3-((2-phenyl-1-thiazol-2-yl-ethyl)amino)propyl)pyrrolidin-1-yl)-4-oxo-1-sec-butyl-butyl)-N,3-dimethyl-butanamide|2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[2-methoxy-4-[2-[1-methoxy-2-methyl-3-oxo-3-[(2-phenyl-1-thiazol-2-yl-ethyl)amino]propyl]pyrrolidin-1-yl]-4-oxo-1-sec-butyl-butyl]-N,3-dimethyl-butanamide
| Molecular Formula | C38H42N2O6 |
|---|---|
| Molecular Weight | 622.30426 g/mol |
| LogP | 7.16 |
| Topological Polar Surface Area | 61.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 622.30426 |
| Heavy Atoms | 46 |
| Complexity | 1753.8 |
Chemical Identifiers
| CAS Number | 1263-80-5 |
|---|---|
| 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)OC)OC)OC |
Product Overview
OBABERINE (CAS 1263-80-5), with molecular formula C38H42N2O6 and molecular weight 622.30426 g/mol. IUPAC: (1R,14S)-6,20,21,25-tetramethoxy-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.
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