ChemSpider 2D Image | 3,5-Dihydroxy-4-isobutyryl-2-methyl-4-(3-methyl-2-butenyl)-6-(2,4,6-trihydroxy-3-isobutyryl-5-(3-methyl-2-butenyl)benzyl)-2,5-cyclohexadien-1-one | C32H42O8

3,5-Dihydroxy-4-isobutyryl-2-methyl-4-(3-methyl-2-butenyl)-6-(2,4,6-trihydroxy-3-isobutyryl-5-(3-methyl-2-butenyl)benzyl)-2,5-cyclohexadien-1-one

  • Molecular FormulaC32H42O8
  • Average mass554.671 Da
  • Monoisotopic mass554.287964 Da
  • ChemSpider ID20011796

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,5-Cyclohexadien-1-one, 3,5-dihydroxy-2-methyl-4-(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxopropyl)-6-[[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)phenyl]methyl]- [ACD/Index Name]
3,5-Dihydroxy-4-isobutyryl-2-methyl-4-(3-methyl-2-buten-1-yl)-6-[2,4,6-trihydroxy-3-isobutyryl-5-(3-methyl-2-buten-1-yl)benzyl]-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-4-isobutyryl-2-methyl-4-(3-methyl-2-buten-1-yl)-6-[2,4,6-trihydroxy-3-isobutyryl-5-(3-methyl-2-buten-1-yl)benzyl]-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
3,5-Dihydroxy-4-isobutyryl-2-méthyl-4-(3-méthyl-2-butén-1-yl)-6-[2,4,6-trihydroxy-3-isobutyryl-5-(3-méthyl-2-butén-1-yl)benzyl]-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
3,5-Dihydroxy-4-isobutyryl-2-methyl-4-(3-methyl-2-butenyl)-6-(2,4,6-trihydroxy-3-isobutyryl-5-(3-methyl-2-butenyl)benzyl)-2,5-cyclohexadien-1-one
hyperbrasilol C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 742.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 416.7±29.4 °C
Index of Refraction: 1.594
Molar Refractivity: 153.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 9.80
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 12705.69
ACD/KOC (pH 5.5): 12700.64
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 115.36
ACD/KOC (pH 7.4): 115.32
Polar Surface Area: 152 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 453.3±3.0 cm3

Click to predict properties on the Chemicalize site


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