Molecule ID: 134814702

IUPAC Name: (2R,4R,4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol

Description: The molecule is an eremorphilane sesquiterpenoid that is (+)-5-epi-aristolochene in which the pro-R hydrogen at position 2 has been replaced by a hydroxy group. It is a carbobicyclic compound, an eremophilane sesquiterpenoid, a member of octahydronaphthalenes, a secondary alcohol and a homoallylic alcohol. It derives from a (+)-5-epi-aristolochene.

SMILES: C=C(C)[C@@H]1CC=C2C[C@H](O)C[C@@H](C)[C@@]2(C)C1

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

InChI: InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h6,11-12,14,16H,1,5,7-9H2,2-4H3/t11-,12-,14-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.9