Molecule ID: 25201856

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

Description: The molecule is an eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene carrying an additional 1beta-hydroxy substituent. It is an eremophilane sesquiterpenoid and a secondary allylic alcohol. It derives from a (+)-5-epi-aristolochene.

SMILES: C=C(C)[C@@H]1CC=C2[C@H](O)CC[C@@H](C)[C@@]2(C)C1

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

InChI: InChI=1S/C15H24O/c1-10(2)12-6-7-13-14(16)8-5-11(3)15(13,4)9-12/h7,11-12,14,16H,1,5-6,8-9H2,2-4H3/t11-,12-,14-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.8