Molecule ID: 51042207

IUPAC Name: (3S,4aR,7aR)-3,4a-dimethyl-3-[(7E,9E)-10-phenyldeca-7,9-dienyl]-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one

Description: The molecule is an organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata. It has a role as a metabolite. It is a gamma-lactone and an organic heterobicyclic compound.

SMILES: C[C@]1(CCCCCC/C=C/C=C/c2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2OO1

SELFIES: [C][C@][Branch2][Ring1][Ring1][C][C][C][C][C][C][/C][=C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][O][O][Ring2][Ring1][O]

InChI: InChI=1S/C24H32O4/c1-23(19-24(2)21(27-28-23)18-22(25)26-24)17-13-8-6-4-3-5-7-10-14-20-15-11-9-12-16-20/h5,7,9-12,14-16,21H,3-4,6,8,13,17-19H2,1-2H3/b7-5+,14-10+/t21-,23+,24-/m1/s1

Molecular Properties:
- Polar Surface Area: 44.8 Ų
- LogP: 6.0