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

3,5-Dihydroxy-6-isobutyryl-4-methyl-6-(3-methyl-2-buten-1-yl)-2-[2,4,6-trihydroxy-3-isobutyryl-5-(3-methyl-2-buten-1-yl)benzyl]-2,4-cyclohexadien-1-one

  • Molecular FormulaC32H42O8
  • Average mass554.671 Da
  • Monoisotopic mass554.287964 Da
  • ChemSpider ID346606

More details:

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

2,4-Cyclohexadien-1-one, 3,5-dihydroxy-4-methyl-6-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-oxopropyl)-2-[[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)phenyl]methyl]- [ACD/Index Name]
3,5-Dihydroxy-6-isobutyryl-4-methyl-6-(3-methyl-2-buten-1-yl)-2-[2,4,6-trihydroxy-3-isobutyryl-5-(3-methyl-2-buten-1-yl)benzyl]-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-6-isobutyryl-4-methyl-6-(3-methyl-2-buten-1-yl)-2-[2,4,6-trihydroxy-3-isobutyryl-5-(3-methyl-2-buten-1-yl)benzyl]-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
3,5-Dihydroxy-6-isobutyryl-4-méthyl-6-(3-méthyl-2-butén-1-yl)-2-[2,4,6-trihydroxy-3-isobutyryl-5-(3-méthyl-2-butén-1-yl)benzyl]-2,4-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
3,5-dihydroxy-4-methyl-6-(3-methylbut-2-enyl)-6-(2-methylpropanoyl)-2-[[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)-5-(2-methylpropanoyl)phenyl]methyl]cyclohexa-2,4-dien-1-one
4937-61-5 [RN]
hyperbrasilol C

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

AIDS150916 [DBID]
AIDS-150916 [DBID]
NCI60_032204 [DBID]
NSC689443 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 718.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 402.2±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: 8.71
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 5091.41
ACD/KOC (pH 5.5): 6655.14
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 50.87
ACD/KOC (pH 7.4): 66.50
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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