Isorhynchophylline
methyl 2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Also Known As: Isorhynchophylline|7-Isorhyncophylline
CAS: 76-66-4
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.2049 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.2049 |
| Monoisotopic Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 76-66-4 |
|---|---|
| SMILES | CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O |
| InChIKey | DAXYUDFNWXHGBE-STAGFUQPSA-N |
Product Overview
Isorhynchophylline (CAS 76-66-4), with molecular formula C22H28N2O4 and molecular weight 384.2049 g/mol. IUPAC: methyl 2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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