ChemSpider 2D Image | 3,5-Dihydroxy-2-isobutyryl-6,6-dimethyl-4-{[3,5,7-trihydroxy-8-isobutyryl-2-methyl-2-(4-methyl-3-penten-1-yl)-3,4-dihydro-2H-chromen-6-yl]methyl}-2,4-cyclohexadien-1-one | C33H44O9

3,5-Dihydroxy-2-isobutyryl-6,6-dimethyl-4-{[3,5,7-trihydroxy-8-isobutyryl-2-methyl-2-(4-methyl-3-penten-1-yl)-3,4-dihydro-2H-chromen-6-yl]methyl}-2,4-cyclohexadien-1-one

  • Molecular FormulaC33H44O9
  • Average mass584.697 Da
  • Monoisotopic mass584.298523 Da
  • ChemSpider ID8568938

More details:

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

2,4-Cyclohexadien-1-one, 4-[[3,4-dihydro-3,5,7-trihydroxy-2-methyl-8-(2-methyl-1-oxopropyl)-2-(4-methyl-3-penten-1-yl)-2H-1-benzopyran-6-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)- [ACD/Index Name]
3,5-Dihydroxy-2-isobutyryl-6,6-dimethyl-4-{[3,5,7-trihydroxy-8-isobutyryl-2-methyl-2-(4-methyl-3-penten-1-yl)-3,4-dihydro-2H-chromen-6-yl]methyl}-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-2-isobutyryl-6,6-dimethyl-4-{[3,5,7-trihydroxy-8-isobutyryl-2-methyl-2-(4-methyl-3-penten-1-yl)-3,4-dihydro-2H-chromen-6-yl]methyl}-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
3,5-Dihydroxy-2-isobutyryl-6,6-diméthyl-4-{[3,5,7-trihydroxy-8-isobutyryl-2-méthyl-2-(4-méthyl-3-pentén-1-yl)-3,4-dihydro-2H-chromén-6-yl]méthyl}-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 809.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 255.6±27.8 °C
Index of Refraction: 1.588
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 346.27
ACD/KOC (pH 5.5): 828.07
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 4.54
ACD/KOC (pH 7.4): 10.85
Polar Surface Area: 162 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 468.9±3.0 cm3

Click to predict properties on the Chemicalize site


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