Molecule ID: 51042202

IUPAC Name: (3S,4aS,7aS)-3,4a-dimethyl-3-(12-phenyldodecyl)-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(CCCCCCCCCCCCc2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2OO1

SELFIES: [C][C@][Branch2][Ring1][Branch1][C][C][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][=N]

InChI: InChI=1S/C26H40O4/c1-25(21-26(2)23(29-30-25)20-24(27)28-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h11,13-14,17-18,23H,3-10,12,15-16,19-21H2,1-2H3/t23-,25-,26-/m0/s1

Molecular Properties:
- Polar Surface Area: 44.8 Ų
- LogP: 8.0