CATUABINE B
[(1R,3R,5S,6R)-6-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate
Also Known As: CATUABINE B|((1S,3R,5R,7R)-7-Benzoyloxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl) 3,4,5-trimethoxybenzoate|[(1R,3R,5S,6R)-6-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate|[(1S,3R,5R,7R)-7-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 3,4,5-trimethoxybenzoate|6-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate|((1S,3R,5R,7R)-7-Benzoyloxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl) 3,4,5-trimethoxybenzoate\r\n|(1R,3R,5S,6R)-6-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate|[(1S,3S,5S,7R)-7-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 3,4,5-trimethoxybenzoate
| Molecular Formula | C25H29NO7 |
|---|---|
| Molecular Weight | 455.1944 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.1944 |
| Monoisotopic Mass | 455.1944 |
| Heavy Atoms | 33 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 65862-79-5 |
|---|---|
| SMILES | CN1[C@@H]2C[C@H](C[C@H]1[C@@H](C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
| InChIKey | KLRFPOWAXHODOU-YSTOQKLRSA-N |
Product Overview
CATUABINE B (CAS 65862-79-5), with molecular formula C25H29NO7 and molecular weight 455.1944 g/mol. IUPAC: [(1R,3R,5S,6R)-6-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate.
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