4-[(1R,2R)-2-[(1E,3E,5Z,7E,9S)-9-Hydroxytetradeca-1,3,5,7-Tetraenyl]Cyclopropyl]Butanoic Acid
[CAS# 111037-11-7]

Identification

• Name: 4-[(1R,2R)-2-[(1E,3E,5Z,7E,9S)-9-Hydroxytetradeca-1,3,5,7-Tetraenyl]Cyclopropyl]Butanoic Acid
• Synonyms: 4-[(1R,2R)-2-[(1E,3E,5Z,7E,9S)-9-Hydroxytetradeca-1,3,5,7-Tetraenyl]Cyclopropyl]Butyric Acid; Mt-Hete; 5,6-Methano-15-Hydroxy-7,9,11,13-Eicosatetraenoic Acid
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 111037-11-7
• SMILES: [C@@H]1([C@@H](C1)\C=C\C=C\C=C/C=C/[C@H](CCCCC)O)CCCC(=O)O
• InChI: 1S/C21H32O3/c1-2-3-8-14-20(22)15-10-7-5-4-6-9-12-18-17-19(18)13-11-16-21(23)24/h4-7,9-10,12,15,18-20,22H,2-3,8,11,13-14,16-17H2,1H3,(H,23,24)/b6-4+,7-5-,12-9+,15-10+/t18-,19-,20+/m1/s1
• InChIKey: HTCSKVNUTLDPJF-XZZKBPRTSA-N

Properties

• Density: 1.057g/cm³ (Cal.)
• Boiling point: 510.141°C at 760 mmHg (Cal.)
• Flash point: 276.412°C (Cal.)