alpha-Picrotoxinone
(1R,8S,9S,12R,13R)-14-acetyl-1-hydroxy-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
Also Known As: alpha-Picrotoxinone|.alpha.-Picrotoxinone|4-19-00-05246 (Beilstein Handbook Reference)|(2aR,3R,6S,6aS,8bR)-9-Acetyl-2a-hydroxy-8b-methylhexahydro-8H-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione|9-Acetyl-2a-hydroxy-8b-methylhexahydro-8H-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione
| Molecular Formula | C14H14O7 |
|---|---|
| Molecular Weight | 294.07394 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.07394 |
| Monoisotopic Mass | 294.07394 |
| Heavy Atoms | 21 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 5947-63-7 |
|---|---|
| SMILES | CC(=O)C1[C@H]2[C@@H]3[C@@]4([C@]([C@@H]1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C |
| InChIKey | ZRGJWHULBHRBFW-ZWOMCJPNSA-N |
Product Overview
alpha-Picrotoxinone (CAS 5947-63-7), with molecular formula C14H14O7 and molecular weight 294.07394 g/mol. IUPAC: (1R,8S,9S,12R,13R)-14-acetyl-1-hydroxy-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione.
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