Molecule ID: 56928095

IUPAC Name: 1-[(3R,5S,9R)-9-bromo-6,10,10-trimethylspiro[4.5]dec-6-en-3-yl]ethanone

Description: The molecule is a spirocyclic sesquiterpenoid that is isolated from the red alga Laurencia glandulifera. It has a role as an algal metabolite. It is a sesquiterpenoid, a methyl ketone, a spiro compound, an organobromine compound and an olefinic compound.

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

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

InChI: InChI=1S/C15H23BrO/c1-10-5-6-13(16)14(3,4)15(10)8-7-12(9-15)11(2)17/h5,12-13H,6-9H2,1-4H3/t12-,13-,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 3.8