3-Hydroxy-5-Methoxy-4-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienoxy]Phthalaldehyde
[CAS# 2102-72-9]

Identification

• Name: 3-Hydroxy-5-Methoxy-4-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienoxy]Phthalaldehyde
• Synonyms: 1,2-Benzenedicarboxaldehyde, 3-Hydroxy-5-Methoxy-4-((3,7,11-Trimethyl-2,6,10-Dodecatrienyl)Oxy)-, (E,E)-; Asperugin
• Molecular Formula: C₂₄H₃₂O₅
• Molecular Weight: 400.51
• CAS Registry Number: 2102-72-9
• SMILES: C1=C(C(=C(C(=C1OC)OC/C=C(/CC/C=C(/CCC=C(C)C)C)C)O)C=O)C=O
• InChI: 1S/C24H32O5/c1-17(2)8-6-9-18(3)10-7-11-19(4)12-13-29-24-22(28-5)14-20(15-25)21(16-26)23(24)27/h8,10,12,14-16,27H,6-7,9,11,13H2,1-5H3/b18-10+,19-12+
• InChIKey: HWVGIDRLIKEBPS-UBIAKTOFSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 562.063°C at 760 mmHg (Cal.)
• Flash point: 185.547°C (Cal.)