6-(3,7-Dimethyl-2,6-octadienyl)-5,7-dihydroxy-4-(1-hydroxypropyl)-8-(2-methylbutyryl)Coumarin 4-acetate
[CAS# 28319-38-2]

Identification

• Name: 6-(3,7-Dimethyl-2,6-octadienyl)-5,7-dihydroxy-4-(1-hydroxypropyl)-8-(2-methylbutyryl)Coumarin 4-acetate
• Synonyms: Acetic Acid 1-[6-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-5,7-Dihydroxy-8-(2-Methyl-1-Oxobutyl)-2-Oxo-4-Chromenyl]Propyl Ester; Acetic Acid 1-[6-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-5,7-Dihydroxy-2-Keto-8-(2-Methylbutanoyl)Chromen-4-Yl]Propyl Ester; 1-[6-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-5,7-Dihydroxy-8-(2-Methylbutanoyl)-2-Oxo-Chromen-4-Yl]Propyl Acetate
• Molecular Formula: C₂₉H₃₈O₇
• Molecular Weight: 498.62
• CAS Registry Number: 28319-38-2
• SMILES: C(C1=C(O)C2=C(C(=C1O)C(=O)C(CC)C)OC(C=C2C(OC(=O)C)CC)=O)/C=C(/CCC=C(C)C)C
• InChI: 1S/C29H38O7/c1-8-18(6)26(32)25-28(34)20(14-13-17(5)12-10-11-16(3)4)27(33)24-21(15-23(31)36-29(24)25)22(9-2)35-19(7)30/h11,13,15,18,22,33-34H,8-10,12,14H2,1-7H3/b17-13+
• InChIKey: UTENTZJIWUVVPY-GHRIWEEISA-N

Properties

• Density: 1.149g/cm³ (Cal.)
• Boiling point: 660.3°C at 760 mmHg (Cal.)
• Flash point: 211.1°C (Cal.)