4-[[3-(Benzoyl)-5-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,4,6-Trihydroxyphenyl]Methyl]-3,5-Dihydroxy-6,6-Dimethyl-2-(2-Methylpropanoyl)Cyclohexa-2,4-Dien-1-One
[CAS# 130756-15-9]

Identification

• Name: 4-[[3-(Benzoyl)-5-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,4,6-Trihydroxyphenyl]Methyl]-3,5-Dihydroxy-6,6-Dimethyl-2-(2-Methylpropanoyl)Cyclohexa-2,4-Dien-1-One
• Synonyms: 4-[[3-(Benzoyl)-5-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,4,6-Trihydroxy-Phenyl]Methyl]-3,5-Dihydroxy-6,6-Dimethyl-2-(2-Methylpropanoyl)Cyclohexa-2,4-Dien-1-One; 4-[[3-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,4,6-Trihydroxy-5-(Oxo-Phenylmethyl)Phenyl]Methyl]-3,5-Dihydroxy-6,6-Dimethyl-2-(2-Methyl-1-Oxopropyl)-1-Cyclohexa-2,4-Dienone; 4-[3-(Benzoyl)-5-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2,4,6-Trihydroxy-Benzyl]-3,5-Dihydroxy-2-Isobutyryl-6,6-Dimethyl-Cyclohexa-2,4-Dien-1-One
• Molecular Formula: C₃₆H₄₂O₈
• Molecular Weight: 602.72
• CAS Registry Number: 130756-15-9
• SMILES: C3=C(C(=O)C1=C(O)C(=C(O)C(=C1O)CC2=C(O)C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)C\C=C(\CCC=C(C)C)C)C=CC=C3
• InChI: 1S/C36H42O8/c1-19(2)12-11-13-21(5)16-17-23-30(39)24(32(41)26(31(23)40)29(38)22-14-9-8-10-15-22)18-25-33(42)27(28(37)20(3)4)35(44)36(6,7)34(25)43/h8-10,12,14-16,20,39-43H,11,13,17-18H2,1-7H3/b21-16+
• InChIKey: RMSBSMAHNIPYEI-LTGZKZEYSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 755.75°C at 760 mmHg (Cal.)
• Flash point: 424.787°C (Cal.)