ChemSpider 2D Image | 3,5-Dihydroxy-2-isobutyryl-6,6-dimethyl-4-[2,4,6-trihydroxy-3-isobutyryl-5-(3-methyl-2-buten-1-yl)benzyl]-2,4-cyclohexadien-1-one | C28H36O8

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

  • Molecular FormulaC28H36O8
  • Average mass500.581 Da
  • Monoisotopic mass500.241028 Da
  • ChemSpider ID4474518

More details:

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

2,4-Cyclohexadien-1-one, 3,5-dihydroxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)-4-[[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)phenyl]methyl]- [ACD/Index Name]
3,5-Dihydroxy-2-isobutyryl-6,6-dimethyl-4-[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-2-isobutyryl-6,6-dimethyl-4-[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-2-isobutyryl-6,6-diméthyl-4-[2,4,6-trihydroxy-3-isobutyryl-5-(3-méthyl-2-butén-1-yl)benzyl]-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
19809-78-0 [RN]
3,5-Dihydroxy-4,4-dimethyl-2-(1-oxoisobutyl)-6-[[5-(1-oxoisobutyl)-3-(3-methyl-2-butenyl)-2,4,6-trih
Uliginosin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 377.8±28.0 °C
Index of Refraction: 1.605
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 119.97
ACD/KOC (pH 5.5): 405.47
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 5.74
Polar Surface Area: 152 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 392.8±3.0 cm3

Click to predict properties on the Chemicalize site


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