Eremofrullanolide
(3aS,4aR,5S,9aS)-4a,5-dimethyl-3-methylidene-4,5,6,7,8,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Also Known As: Eremofrullanolide|(3aS,4aR,5S,9aS)-4a,5-dimethyl-3-methylidene-4,5,6,7,8,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one|(3aS)-3abeta,4,4a,5,6,7,8,9abeta-Octahydro-4abeta,5beta-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one|(3aS,4aR,5S,9aS)-4a,5-dimethyl-3-methylene-4,5,6,7,8,9a-hexahydro-3aH-benzo[f]benzofuran-2-one|(3AS,4AR,5S,9AS)-4A,5-DIMETHYL-3-METHYLIDENE-2H,3H,3AH,4H,4AH,5H,6H,7H,8H,9AH-NAPHTHO[2,3-B]FURAN-2-ONE|(3aS,4aR,5S,9aS)-4a,5-Dimethyl-3-methylidene-3a,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.14633 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.14633 |
| Monoisotopic Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 62870-69-3 |
|---|---|
| SMILES | C[C@H]1CCCC2=C[C@H]3[C@@H](C[C@]12C)C(=C)C(=O)O3 |
| InChIKey | OAPAQBTVYKCGMG-SUDQYYNISA-N |
Product Overview
Eremofrullanolide (CAS 62870-69-3), with molecular formula C15H20O2 and molecular weight 232.14633 g/mol. IUPAC: (3aS,4aR,5S,9aS)-4a,5-dimethyl-3-methylidene-4,5,6,7,8,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one.
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