Molecule ID: 54671804

IUPAC Name: (4aS,5S,8S,8aS)-8-[(1R)-1-carboxyethyl]-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid

Description: The molecule is a sesquiterpenoid isolated from the leaves of Eremophila mitchellii. It has a role as a plant metabolite. It is a sesquiterpenoid, a dicarboxylic acid, a carbobicyclic compound and a member of octahydronaphthalenes.

SMILES: C[C@H]1CC[C@H]([C@@H](C)C(=O)O)[C@H]2C=C(C(=O)O)CC[C@H]21

SELFIES: [C][C@H1][C][C][C@H1][Branch1][#Branch2][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@H1][Ring1][=Branch2][Ring2][Ring1][C]

InChI: InChI=1S/C15H22O4/c1-8-3-5-12(9(2)14(16)17)13-7-10(15(18)19)4-6-11(8)13/h7-9,11-13H,3-6H2,1-2H3,(H,16,17)(H,18,19)/t8-,9+,11-,12+,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 3.2