Isochromophilone VII
[5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl] acetate
Also Known As: Isochromophilone VII|[5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl] acetate|5-chloro-3-(3',5'-dimethyl-1',3'-heptadienyl)-1,7,8a-trihydro-7,8a-dihydroxy-7-methyl-6H-2-benzopyran-6,8(7H)-dione 7-acetate|(5-chloro-3-((1E,3E)-3,5-dimethylhepta-1,3-dienyl)-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl) acetate|1H-2-Benzopyran-6,8(7H,8aH)-dione, 7-(acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-8a-hydroxy-7-methyl-|5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadienyl]-1,8a-dihydro-8a-hydroxy-7-acetoxy-7-methyl-6H-2-benzopyran-6,8(7H)-dione|5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dien-1-yl]-8a-hydroxy-7-methyl-6,8-dioxo-6,7,8,8a-tetrahydro-1H-isochromen-7-yl acetate
| Molecular Formula | C21H25ClO6 |
|---|---|
| Molecular Weight | 408.13397 g/mol |
| LogP | 3.1467 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.13397 |
| Monoisotopic Mass | 408.13397 |
| Heavy Atoms | 28 |
| Complexity | 833.83386 |
Chemical Identifiers
| CAS Number | 175448-30-3 |
|---|---|
| SMILES | CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)C(C(=O)C2(CO1)O)(C)OC(=O)C)Cl |
Product Overview
Isochromophilone VII (CAS 175448-30-3), with molecular formula C21H25ClO6 and molecular weight 408.13397 g/mol. IUPAC: [5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl] acetate.