Phomopsolide A
[(2S,3S)-2-[(Z)-4-hydroxy-3-oxopent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
Also Known As: phomopsolide A|6(E)-phomopsolide A|[(2S,3S)-2-[(Z)-4-hydroxy-3-oxopent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate|((2S,3S)-2-((Z)-4-hydroxy-3-oxopent-1-enyl)-6-oxo-2,3-dihydropyran-3-yl) (E)-2-methylbut-2-enoate|(2S,3S)-2-[(1Z)-4-hydroxy-3-oxopent-1-en-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methylbut-2-enoate|(6S)-5,6-Dihydro-6alpha-[(Z)-4-hydroxy-3-oxo-1-pentenyl]-5alpha-[(E)-2-methyl-2-butenoyloxy]-2H-pyran-2-one|[2-[(Z)-4-hydroxy-3-oxo-pent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11035 g/mol |
| LogP | 0.8521 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.11035 |
| Monoisotopic Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 512.2569 |
Chemical Identifiers
| CAS Number | 97529-83-4 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C\C(=O)C(C)O |
Product Overview
Phomopsolide A (CAS 97529-83-4), with molecular formula C15H18O6 and molecular weight 294.11035 g/mol. IUPAC: [(2S,3S)-2-[(Z)-4-hydroxy-3-oxopent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate.