ChemSpider 2D Image | 5-Hydroxy-2,2,6,6-tetramethyl-4-{3-phenyl-1-[2,4,6-trihydroxy-3-methyl-5-(3-phenylpropanoyl)phenyl]propyl}-4-cyclohexene-1,3-dione | C35H38O7

5-Hydroxy-2,2,6,6-tetramethyl-4-{3-phenyl-1-[2,4,6-trihydroxy-3-methyl-5-(3-phenylpropanoyl)phenyl]propyl}-4-cyclohexene-1,3-dione

  • Molecular FormulaC35H38O7
  • Average mass570.672 Da
  • Monoisotopic mass570.261780 Da
  • ChemSpider ID24687140

More details:

Featured data source
Natural Product Updates

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

4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-[3-phenyl-1-[2,4,6-trihydroxy-3-methyl-5-(1-oxo-3-phenylpropyl)phenyl]propyl]- [ACD/Index Name]
5-Hydroxy-2,2,6,6-tetramethyl-4-{3-phenyl-1-[2,4,6-trihydroxy-3-methyl-5-(3-phenylpropanoyl)phenyl]propyl}-4-cyclohexen-1,3-dion [German] [ACD/IUPAC Name]
5-Hydroxy-2,2,6,6-tetramethyl-4-{3-phenyl-1-[2,4,6-trihydroxy-3-methyl-5-(3-phenylpropanoyl)phenyl]propyl}-4-cyclohexene-1,3-dione [ACD/IUPAC Name]
5-Hydroxy-2,2,6,6-tétraméthyl-4-{3-phényl-1-[2,4,6-trihydroxy-3-méthyl-5-(3-phénylpropanoyl)phényl]propyl}-4-cyclohexène-1,3-dione [French] [ACD/IUPAC Name]
CORYMBONE A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447346/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 423.5±29.4 °C
Index of Refraction: 1.621
Molar Refractivity: 160.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 14238.24
ACD/KOC (pH 5.5): 16458.55
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 91.47
ACD/KOC (pH 7.4): 105.73
Polar Surface Area: 132 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 455.6±3.0 cm3

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