Molecule ID: 10955696

IUPAC Name: (3R,4aS,5S,8aS)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

Description: The molecule is a carbobicyclic compound that is decahydronaphthalene substituted at positions 2, 4a, 8 and 8a by 2-hydroxypropan-2-yl, methyl, methyl and hydroxy groups, respectively. The (3R,4aS,5S,8aS) stereoisomer. It has a role as a bacterial metabolite and a plant metabolite. It is a carbobicyclic compound, a eudesmane sesquiterpenoid, a tertiary alcohol and a diol.

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

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

InChI: InChI=1S/C15H28O2/c1-11-6-5-8-14(4)9-7-12(13(2,3)16)10-15(11,14)17/h11-12,16-17H,5-10H2,1-4H3/t11-,12+,14-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 2.9