(9E,12Z,14Z,16S)-16-Hydroxyhenicosa-9,12,14-Trienoic Acid
[CAS# 131426-25-0]

Identification

• Name: (9E,12Z,14Z,16S)-16-Hydroxyhenicosa-9,12,14-Trienoic Acid
• Synonyms: (S-(E,Z,Z))-16-Hydroxy-9,12,14-Heneicosatrienoic Acid; 16-Hhte; 16-Hydroxyheneicosatrienoic Acid
• Molecular Formula: C₂₁H₃₆O₃
• Molecular Weight: 336.51
• CAS Registry Number: 131426-25-0
• SMILES: [C@@H](O)(\C=C/C=C\C\C=C\CCCCCCCC(=O)O)CCCCC
• InChI: 1S/C21H36O3/c1-2-3-14-17-20(22)18-15-12-10-8-6-4-5-7-9-11-13-16-19-21(23)24/h4,6,10,12,15,18,20,22H,2-3,5,7-9,11,13-14,16-17,19H2,1H3,(H,23,24)/b6-4+,12-10-,18-15-/t20-/m0/s1
• InChIKey: AVADUGBYWLGYJT-FZRYAELESA-N

Properties

• Density: 0.966g/cm³ (Cal.)
• Boiling point: 473.929°C at 760 mmHg (Cal.)
• Flash point: 254.536°C (Cal.)