Molecule ID: 396685

IUPAC Name: (3R,4S,6S)-4-bromo-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-9-one

Description: The molecule is a sesquiterpenoid isolated from the marine red algae, Laurencia scoparia. It has a role as an algal metabolite and a marine metabolite. It is an organobromine compound, a spiro compound, an olefinic compound, a sesquiterpenoid and a secondary alcohol.

SMILES: C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=CC(=O)CC2

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

InChI: InChI=1S/C14H19BrO2/c1-9-8-11(17)12(15)13(2,3)14(9)6-4-10(16)5-7-14/h4,6,11-12,17H,1,5,7-8H2,2-3H3/t11-,12-,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.6