Molecule ID: 5281396

IUPAC Name: (3E,3aR,5S,8bS)-5-hydroxy-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one

Description: The molecule is a strigolactone in which the tricyclic lactone moiety bears a hydroxy substitutuent at the position para to the gem-dimethyl group. It is a strigolactone, a secondary alcohol and an indenofuran.

SMILES: CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(C[C@H]23)[C@@H](O)CCC4(C)C)OC1=O

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

InChI: InChI=1S/C19H22O6/c1-9-6-14(24-17(9)21)23-8-12-10-7-11-13(20)4-5-19(2,3)15(11)16(10)25-18(12)22/h6,8,10,13-14,16,20H,4-5,7H2,1-3H3/b12-8+/t10-,13+,14-,16+/m1/s1

Molecular Properties:
- Polar Surface Area: 82.1 Ų
- LogP: 1.3