Aspidocarpine
1-(12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl)ethanone
Also Known As: Aspidocarpine|TimTec1_000959|Oprea1_101600|LSM-4502|1-Acetyl-16-methoxyaspidospermidin-17-ol|NCGC00017293-02|NCGC00017293-03|NCGC00142357-01|NCGC00142357-02|Aspidospermidin-17-ol, 1-acetyl-16-methoxy-|1-Acetyl-16-methoxyaspidospermidin-17-ol #|BRD-A98670841-001-01-1|1-(12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl)ethanone|1-(12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo(10.6.1.01,9.02,7.016,19)nonadeca-2(7),3,5-trien-8-yl)ethanone|8-acetyl-12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0<1,9>.0<2,7 >.0<16,19>]nonadeca-2(7),3,5-triene
| Molecular Formula | C22H30N2O3 |
|---|---|
| Molecular Weight | 370.22565 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.22565 |
| Monoisotopic Mass | 370.22565 |
| Heavy Atoms | 27 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 466-45-5 |
|---|---|
| SMILES | CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC(=C5O)OC)C(=O)C |
| InChIKey | CITPXCNSMZMNIW-UHFFFAOYSA-N |
Product Overview
Aspidocarpine (CAS 466-45-5), with molecular formula C22H30N2O3 and molecular weight 370.22565 g/mol. IUPAC: 1-(12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl)ethanone.