Molecule ID: 51042628

IUPAC Name: (3aS,5S,6aS)-5-[12-(4-hydroxyphenyl)dodecyl]-5,6a-dimethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one

Description: The molecule is an organic heterobicyclic compound consisting of a gamma-lactone ring fused onto a substituted tetrahydrofuran ring. It is isolated from the Australian marine sponge Plakinastrella clathrata. It has a role as a metabolite. It is a gamma-lactone, an organic heterobicyclic compound and a member of phenols.

SMILES: C[C@]1(CCCCCCCCCCCCc2ccc(O)cc2)C[C@]2(C)OC(=O)C[C@@H]2O1

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

InChI: InChI=1S/C26H40O4/c1-25(20-26(2)23(29-25)19-24(28)30-26)18-12-10-8-6-4-3-5-7-9-11-13-21-14-16-22(27)17-15-21/h14-17,23,27H,3-13,18-20H2,1-2H3/t23-,25-,26-/m0/s1

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 7.6