Venenatine
methyl (1R,15S,18R,19S,20S)-18-hydroxy-8-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.5 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.8 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 1055-75-0 |
|---|---|
| SMILES | COC1=CC=CC2=C1C3=C(N2)C4CC5C(CCC(C5C(=O)OC)O)CN4CC3 |
| InChIKey | WMMZYEBFJWWUJX-YCSGKXEJSA-N |
📖 Product Overview
Venenatine (CAS: 1055-75-0) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.5 g/mol. Its IUPAC systematic name is methyl (1R,15S,18R,19S,20S)-18-hydroxy-8-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
WMMZYEBFJWWUJX-YCSGKXEJSA-N.
SMILES: COC1=CC=CC2=C1C3=C(N2)C4CC5C(CCC(C5C(=O)OC)O)CN4CC3.
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