Molecule ID: 21593552

IUPAC Name: (1S,2R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane

Description: The molecule is a eudesmane sesquiterpenoid that is octahydro-2H-3,9a-methano-1-benzoxepine substituted by methyl groups at positions 2, 2, 5a and 9 (the 3R,5aS,9R,9aS stereoisomer). It has a role as a metabolite. It is an organic heterotricyclic compound, a bridged compound, a eudesmane sesquiterpenoid and a cyclic ether.

SMILES: C[C@@H]1CCC[C@@]2(C)CC[C@@H]3C[C@]12OC3(C)C

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

InChI: InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12-,14+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 9.2 Ų
- LogP: 3.9