Echinofuran
[(1S)-1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] acetate
Also Known As: Echinofuran|(-)-Echinofuran|2,5-Cyclohexadiene-1,4-dione, 2-(4-((1S)-1-(acetyloxy)-4-methyl-3-pentenyl)-2-furanyl)-|(1S)-1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-en-1-yl acetate|(-)-2-[4-[(S)-1-Acetoxy-4-methyl-3-pentenyl]-2-furanyl]-2,5-cyclohexadiene-1,4-dione|(S)-1-(5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl)-4-methylpent-3-en-1-yl acetate|[(1S)-1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] acetate|1-[5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-en-1-yl acetate
| Molecular Formula | C18H18O5 |
|---|---|
| Molecular Weight | 314.11542 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.11542 |
| Monoisotopic Mass | 314.11542 |
| Heavy Atoms | 23 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 80348-64-7 |
|---|---|
| SMILES | CC(=CC[C@@H](C1=COC(=C1)C2=CC(=O)C=CC2=O)OC(=O)C)C |
| InChIKey | KUMRDPIXRZXXRO-KRWDZBQOSA-N |
Product Overview
Echinofuran (CAS 80348-64-7), with molecular formula C18H18O5 and molecular weight 314.11542 g/mol. IUPAC: [(1S)-1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-enyl] acetate.