(9Z,11E,13S)-13-Hydroxy(9,10,12,13-²H₄)-9,11-Octadecadienoic Acid
[CAS# 139408-39-2]

Identification

• Name: (9Z,11E,13S)-13-Hydroxy(9,10,12,13-²H₄)-9,11-Octadecadienoic Acid
• Synonyms: "13S-hydroxy-9Z,11E-octadecadienoic-9,10,12,13-d4 acid"; 13(S)-HODE-d4
• Molecular Formula: C₁₈H₂₈D₄O₃
• Molecular Weight: 300.47
• CAS Registry Number: 139408-39-2
• SMILES: [2H]/C(=C(\[2H])/C=C(\[2H])/[C@]([2H])(CCCCC)O)/CCCCCCCC(=O)O
• InChI: 1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1/i7D,9D,15D,17D
• InChIKey: HNICUWMFWZBIFP-QEYKCUBVSA-N

Properties

• Density: 0.984g/cm³ (Cal.)
• Boiling point: 422.744°C at 760 mmHg (Cal.)
• Flash point: 223.614°C (Cal.)
• Refractive index: 1.492 (Cal.)