Ambrosin
(3aS,6S,6aR,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
Also Known As: Ambrosin|(+/-)-Ambrosin|Ambrosin, (+/-)-|AMBROSIN [MI]|Ambrosin (+/-)-form [MI]|MEGxp0_001652|ACon0_000311|ACon1_002230|5-Ethyl-5-piperidinobarbituric acid|NCGC00179698-01|3,3a,4,5,6,6a,9a,9b-Octahydro-6,9a-dimethyl-3-methyleneazuleno(4,5b)furan-2,9-dione|6b-hydroxy-4-oxo-10ah-ambrosa-2,11(13)-dien-12-oic acid g-lactone|(3aS,6S,6aR,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione|Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6,9a-dimethyl-3-methylene-, (3aS,6S,6aR,9aR,9bR)-rel-|10alphaH-Ambrosa-2,11(13)-dien-12-oic acid, 6beta-hydroxy-4-oxo-, gamma-lactone|Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6,9a-dimethyl-3-methylene-, (3aS-(3aalpha,6beta,6aalpha,9abeta,9balpha))-|3,3a,4,5,6,6a,9a,9b-Octahydro-6,9a-dimethyl-3-methyleneazuleno[4,5-b]furan-2,9-dione|6-beta-hydroxy-4-oxo-10-alpha H-ambrosa-2,11(13)-dien-12-oic acid gamma-lactone|6beta-Hydroxy-4-oxo-10alphaH-ambrosa-2,11(13)-dien-12-oic acid gamma-lactone|(3aS)-3,3a,4,5,6,6abeta,9a,9bbeta-Octahydro-6alpha,9aalpha-dimethyl-3-methyleneazuleno[4,5-b]furan-2,9-dione|(3aS,6S,6aR,9aR,9bR)-6,9a-dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno(8,7-b)furan-2,9-dione|(3AS,6S,6AR,9AR,9BR)-6,9A-DIMETHYL-3-METHYLIDENE-2H,3H,3AH,4H,5H,6H,6AH,9H,9AH,9BH-AZULENO[4,5-B]FURAN-2,9-DIONE
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.1256 g/mol |
| LogP | 2.28 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 476.1 |
Chemical Identifiers
| CAS Number | 509-93-3 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C2=C |
Product Overview
Ambrosin (CAS 509-93-3), with molecular formula C15H18O3 and molecular weight 246.1256 g/mol. IUPAC: (3aS,6S,6aR,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione.
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