Molecule ID: 10944473

IUPAC Name: (3aS,6R,6aR)-6-hexyl-3-methylidene-6,6a-dihydro-3aH-furo[3,4-b]furan-2,4-dione

Description: The molecule is a furofuran that is (3aR,6aR)-hexahydrofuro[3,4-b]furan substituted by an oxo group at positions 2 and 4, methylene group at position 3 and by an hexyl group at position 6. It is a metabolite isolated from several species of fungi. It has a role as an antifungal agent and a fungal metabolite. It is a gamma-lactone and a furofuran.

SMILES: C=C1C(=O)O[C@@H]2[C@H]1C(=O)O[C@@H]2CCCCCC

SELFIES: [C][=C][C][=Branch1][C][=O][O][C@@H1][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring1][=Branch1][C][C][C][C][C][C]

InChI: InChI=1S/C13H18O4/c1-3-4-5-6-7-9-11-10(13(15)16-9)8(2)12(14)17-11/h9-11H,2-7H2,1H3/t9-,10+,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 3.1