Molecule ID: 51394521

IUPAC Name: (1R,4R,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

Description: The molecule is a cadinane sesquiterpenoid that consists of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1R,4R,4aS,8aR)-configuration. It is a cadinane sesquiterpenoid and a member of octahydronaphthalenes. It is an enantiomer of a (-)-Tau-muurolol.

SMILES: CC1=C[C@@H]2[C@@H](C(C)C)CC[C@@](C)(O)[C@@H]2CC1

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

InChI: InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.3