ChemSpider 2D Image | 7-Benzoyl-4,4,10,10-tetramethyl-3,9,11-tris(3-methyl-2-buten-1-yl)-5-oxatricyclo[7.3.1.0~1,6~]tridec-6-ene-8,13-dione | C38H50O4

7-Benzoyl-4,4,10,10-tetramethyl-3,9,11-tris(3-methyl-2-buten-1-yl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione

  • Molecular FormulaC38H50O4
  • Average mass570.801 Da
  • Monoisotopic mass570.370911 Da
  • ChemSpider ID24618160

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

7-Benzoyl-4,4,10,10-tetramethyl-3,9,11-tris(3-methyl-2-buten-1-yl)-5-oxatricyclo[7.3.1.01,6]tridec-6-en-8,13-dion [German] [ACD/IUPAC Name]
7-Benzoyl-4,4,10,10-tetramethyl-3,9,11-tris(3-methyl-2-buten-1-yl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione [ACD/IUPAC Name]
7-Benzoyl-4,4,10,10-tétraméthyl-3,9,11-tris(3-méthyl-2-butén-1-yl)-5-oxatricyclo[7.3.1.01,6]tridéc-6-ène-8,13-dione [French] [ACD/IUPAC Name]
9H-4a,8-Methano-2H-cycloocta[b]pyran-9,11-dione, 10-benzoyl-3,4,5,6,7,8-hexahydro-2,2,7,7-tetramethyl-3,6,8-tris(3-methyl-2-buten-1-yl)- [ACD/Index Name]
13,14-didehydroxyisogarcionol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 641.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 261.5±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.96
ACD/LogD (pH 5.5): 10.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 60 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 525.3±5.0 cm3

Click to predict properties on the Chemicalize site


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