Molecule ID: 10691218

IUPAC Name: [(2R,12Z,15Z)-1-hydroxy-4-oxohenicosa-12,15-dien-2-yl] acetate

Description: The molecule is a long-chain primary fatty alcohol that is henicosan-1-ol which carries an acetoxy group at position 2, keto group at position 4, and two double bonds at positions 12 and 15. It is a long-chain primary fatty alcohol, an acetate ester and a ketone.

SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)C[C@H](CO)OC(C)=O

SELFIES: [C][C][C][C][C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][Ring1][C][O][O][C][Branch1][C][C][=O]

InChI: InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)19-23(20-24)27-21(2)25/h7-8,10-11,23-24H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-/t23-/m1/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 5.9