1-[3-(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzyl)-2,4,6-trihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]ethanone
[CAS# 86828-07-1]

Identification

• Name: 1-[3-(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzyl)-2,4,6-trihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]ethanone
• Synonyms: 1-[3-(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzyl)-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]ethanone; 3-(3,3-(Dimethylallyl)-5-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-phloracetophenone); 3-(3,3-dimethylallyl)-5-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenxyl)-phloracetophenone
• Molecular Formula: C₂₄H₂₈O₈
• Molecular Weight: 444.47
• CAS Registry Number: 86828-07-1
• SMILES: CC1=C(C(=C(C(=C1OC)CC2=C(C(=C(C(=C2O)CC=C(C)C)O)C(=O)C)O)O)C(=O)C)O
• InChI: 1S/C24H28O8/c1-10(2)7-8-14-20(28)15(22(30)18(13(5)26)21(14)29)9-16-23(31)17(12(4)25)19(27)11(3)24(16)32-6/h7,27-31H,8-9H2,1-6H3
• InChIKey: GEWBQPFQVFANET-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 689.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 234.3±25.0°C (Cal.)