Spegazzinine
1-[(1S,9S,10S,12R,19R)-12-ethyl-6,10-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
Also Known As: Spegazzinine|(+)-Spegazzinine|1-Acetylaspidospermidine-3alpha,17-diol|Aspidospermidine-3,17-diol, 1-acetyl-, (3alpha)-|1-(3,17-Dihydroxyaspidospermidin-1-yl)ethan-1-one|1-(3alpha,17-Dihydroxyaspidospermidin-1-yl)ethan-1-one|Aspidospermidine-3,17-diol, 1-acetyl-, (3.alpha.)-|1-[(1S,9S,10S,12R,19R)-12-ethyl-6,10-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone|1-[(1S,9S,10S,12R,19R)-12-ethyl-6,10-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethan-1-one
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 2.3942 |
| Topological Polar Surface Area | 64.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.21 |
| Monoisotopic Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 780.5197 |
Chemical Identifiers
| CAS Number | 6882-72-0 |
|---|---|
| SMILES | CC[C@]12CCCN3[C@H]1[C@@]4(CC3)[C@@H]([C@H](C2)O)N(C5=C4C=CC=C5O)C(=O)C |
Product Overview
Spegazzinine (CAS 6882-72-0), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: 1-[(1S,9S,10S,12R,19R)-12-ethyl-6,10-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone.
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