Molecule ID: 51042406

IUPAC Name: (3S,4aR,7aR)-3-[10-(4-hydroxyphenyl)decyl]-3,4a-dimethyl-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, an organic heterobicyclic compound and a member of phenols.

SMILES: C[C@]1(CCCCCCCCCCc2ccc(O)cc2)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][Branch1][C][O][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/C24H36O5/c1-23(18-24(2)21(28-29-23)17-22(26)27-24)16-10-8-6-4-3-5-7-9-11-19-12-14-20(25)15-13-19/h12-15,21,25H,3-11,16-18H2,1-2H3/t21-,23+,24-/m1/s1

Molecular Properties:
- Polar Surface Area: 65.0 Ų
- LogP: 6.5