2-Benzoyl-4-(3,7-Dimethyl-2,6-Octadienyl)-3-Hydroxy-4,6-Bis(3-Methyl-2-Butenyl)-2,5-Cyclohexadien-1-One
[CAS# 81827-55-6]

Identification

• Name: 2-Benzoyl-4-(3,7-Dimethyl-2,6-Octadienyl)-3-Hydroxy-4,6-Bis(3-Methyl-2-Butenyl)-2,5-Cyclohexadien-1-One
• Synonyms: (2R,6E)-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-5-Hydroxy-6-(Hydroxy-Phenyl-Methylene)-2,4-Bis(3-Methylbut-2-Enyl)Cyclohex-4-Ene-1,3-Dione; (2R,6E)-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-5-Hydroxy-6-(Hydroxy-Phenylmethylene)-2,4-Bis(3-Methylbut-2-Enyl)Cyclohex-4-Ene-1,3-Dione; (2R,6E)-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-5-Hydroxy-6-(Hydroxy-Phenyl-Methylene)-2,4-Bis(3-Methylbut-2-Enyl)Cyclohex-4-Ene-1,3-Quinone
• Molecular Formula: C₃₃H₄₂O₄
• Molecular Weight: 502.69
• CAS Registry Number: 81827-55-6
• SMILES: [C@@]1(C\C=C(\CCC=C(C)C)C)(CC=C(C)C)C(=O)C(=C(O)C(/C1=O)=C(O)/C2=CC=CC=C2)CC=C(C)C
• InChI: 1S/C33H42O4/c1-22(2)12-11-13-25(7)19-21-33(20-18-24(5)6)31(36)27(17-16-23(3)4)30(35)28(32(33)37)29(34)26-14-9-8-10-15-26/h8-10,12,14-16,18-19,34-35H,11,13,17,20-21H2,1-7H3/b25-19+,29-28+/t33-/m1/s1
• InChIKey: CXUWMKJZOJXGIU-VFJUAXEESA-N

Properties

• Density: 1.069g/cm³ (Cal.)
• Boiling point: 581.459°C at 760 mmHg (Cal.)
• Flash point: 319.496°C (Cal.)