Molecule ID: 134692083

IUPAC Name: (1R,4R,5R,8S)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one

Description: The molecule is an organic heterobicyclic compound that is 2-oxabicyclo[3.3.1]nonan-3-one which has been substituted by an oxo group at position 3, methyl groups at positions 4 and 8, and by a hydroxy group at position 8 (the 1R,4R,5R,8S stereoisomer). Isolated from the plant endophytic fungus Pestalotiopsis foedan. It has a role as an antifungal agent and a fungal metabolite. It is a monoterpene, an organic heterobicyclic compound, a tertiary alcohol, a monoterpenoid and a delta-lactone.

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

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

InChI: InChI=1S/C10H16O3/c1-6-7-3-4-10(2,12)8(5-7)13-9(6)11/h6-8,12H,3-5H2,1-2H3/t6-,7-,8-,10+/m1/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 1.1