Isoheleniamarin
[(3aR,5S,8aR,9R)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,7,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
Also Known As: Isoheleniamarin|Ambros-1-en-12-oic acid, 6beta,8alpha-dihydroxy-4-oxo-, 12,8-lactone acetate|(3R,3AS,4R,4ar,8R,9as)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3ah,4H,4ah,5H,6H,8H,9H,9ah-azuleno(6,5-b)furan-4-yl acetic acid|(3R,3AS,4R,4ar,8R,9as)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3ah,4H,4ah,5H,6H,8H,9H,9ah-azuleno[6,5-b]furan-4-yl acetic acid|(4R,4aR,8S,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,6,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate|[(3aR,5S,8aR,9R)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,7,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate|3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,6,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.14673 g/mol |
| LogP | 2.0411 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.14673 |
| Monoisotopic Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 577.5984 |
Chemical Identifiers
| CAS Number | 6586-77-2 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2C([C@H]([C@]3(C1=CCC3=O)C)OC(=O)C)C(C(=O)O2)C |
Product Overview
Isoheleniamarin (CAS 6586-77-2), with molecular formula C17H22O5 and molecular weight 306.14673 g/mol. IUPAC: [(3aR,5S,8aR,9R)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,7,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate.