Ostruthol
[CAS# 642-08-0]

Identification

• Name: Ostruthol
• Synonyms: [(1R)-2-Hydroxy-2-Methyl-1-[(7-Oxofuro[3,2-G]Chromen-4-Yl)Oxymethyl]Propyl] (Z)-2-Methylbut-2-Enoate; (Z)-2-Methylbut-2-Enoic Acid [(1R)-2-Hydroxy-2-Methyl-1-[(7-Oxo-4-Furo[3,2-G]Chromenyl)Oxymethyl]Propyl] Ester; (Z)-2-Methylbut-2-Enoic Acid [(1R)-2-Hydroxy-1-[(7-Ketofuro[3,2-G]Chromen-4-Yl)Oxymethyl]-2-Methyl-Propyl] Ester
• Molecular Formula: C₂₁H₂₂O₇
• Molecular Weight: 386.40
• CAS Registry Number: 642-08-0
• SMILES: [C@@H](OC(C(=C/C)\C)=O)(COC1=C3C(=CC2=C1C=CO2)OC(C=C3)=O)C(O)(C)C
• InChI: 1S/C21H22O7/c1-5-12(2)20(23)28-17(21(3,4)24)11-26-19-13-6-7-18(22)27-16(13)10-15-14(19)8-9-25-15/h5-10,17,24H,11H2,1-4H3/b12-5-/t17-/m1/s1
• InChIKey: WXULKGXQMWVWMP-OMLDUKLJSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 571.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 299.4±30.1°C (Cal.)