Molecule ID: 121596197

IUPAC Name: (1R,2S,5R,6R,7R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,8-diol

Description: The molecule is an organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol which is substituted by methyl groups at positions 5 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2S,5R,6R,7R,8R (as shown), or the enantiomer. It has a role as a plant metabolite. It is a sesquiterpenoid, a lactol, a tertiary alcohol and an organic heterotricyclic compound.

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

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

InChI: InChI=1S/C15H26O3/c1-9(2)10-5-6-13(3)11(10)12-14(4,16)7-8-15(13,17)18-12/h9-12,16-17H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 49.7 Ų
- LogP: 2.4