(2Z,4E)-3-Methyl-5-[(1S)-1beta-Hydroxy-2,6-Dimethyl-6beta,2beta-(Epoxymethano)-4-Oxocyclohexane-1-Yl]-2,4-Pentadienoic Acid
[CAS# 24394-14-7]

Identification

• Name: (2Z,4E)-3-Methyl-5-[(1S)-1beta-Hydroxy-2,6-Dimethyl-6beta,2beta-(Epoxymethano)-4-Oxocyclohexane-1-Yl]-2,4-Pentadienoic Acid
• Synonyms: (2Z,4E)-5-[(1R,5R,8S)-8-Hydroxy-1,5-Dimethyl-3-Oxo-6-Oxabicyclo[3.2.1]Octan-8-Yl]-3-Methyl-Penta-2,4-Dienoic Acid; (2Z,4E)-5-[(1R,5R,8S)-8-Hydroxy-3-Keto-1,5-Dimethyl-6-Oxabicyclo[3.2.1]Octan-8-Yl]-3-Methyl-Penta-2,4-Dienoic Acid; (-)-Phaseic Acid
• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.32
• CAS Registry Number: 24394-14-7
• SMILES: [C@@]12([C@](O)([C@](OC1)(CC(=O)C2)C)\C=C\C(C)=C/C(O)=O)C
• InChI: 1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t13-,14-,15+/m1/s1
• InChIKey: IZGYIFFQBZWOLJ-UUZREKTLSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 497.488°C at 760 mmHg (Cal.)
• Flash point: 185.936°C (Cal.)