Lochnericin
methyl 12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
Also Known As: Lochnericine|Lochnericin|Pachysiphine|(-)-Pachysiphine|(5alpha,12R,19alpha)-2,3-Didehydro-6alpha,7alpha-epoxyaspidospermidine-3-carboxylic acid methyl ester|Aspidospermidine-3-carboxylic acid, 2,3-didehydro-6,7-epoxy-, methyl ester, (5.alpha.,6.beta.,7.beta.,12.beta.,19.alpha.)-|Aspidospermidine-3-carboxylic acid,3-didehydro-6,7-epoxy-, methyl ester, (5.alpha.,6.beta.,7.beta.,12.beta.,19.alpha.)-|Methyl 12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.17868 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.17868 |
| Monoisotopic Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 72058-36-7 |
|---|---|
| SMILES | CCC12CC(=C3C4(C1N(CC4)CC5C2O5)C6=CC=CC=C6N3)C(=O)OC |
| InChIKey | AUVZFRDLRJQTQF-UHFFFAOYSA-N |
Product Overview
Lochnericin (CAS 72058-36-7), with molecular formula C21H24N2O3 and molecular weight 352.17868 g/mol. IUPAC: methyl 12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate.
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