Molecule ID: 91825624

IUPAC Name: 4-hydroxy-6-(17-hydroxy-2-oxoheptadecyl)pyran-2-one

Description: The molecule is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 17-hydroxy-2-oxoheptadecyl group. It is a primary alcohol and a 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one.

SMILES: O=C(CCCCCCCCCCCCCCCO)Cc1cc(O)cc(=O)o1

SELFIES: [O][=C][Branch1][P][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2]

InChI: InChI=1S/C22H36O5/c23-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(24)16-21-17-20(25)18-22(26)27-21/h17-18,23,25H,1-16H2

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 5.5