ChemSpider 2D Image | (4,5,6-Trihydroxy-3,10,13,13-tetramethyl-15-oxotetracyclo[7.5.1.0~1,5~.0~12,14~]pentadeca-2,7-dien-7-yl)methyl palmitate | C36H58O6

(4,5,6-Trihydroxy-3,10,13,13-tetramethyl-15-oxotetracyclo[7.5.1.01,5.012,14]pentadeca-2,7-dien-7-yl)methyl palmitate

  • Molecular FormulaC36H58O6
  • Average mass586.842 Da
  • Monoisotopic mass586.423340 Da
  • ChemSpider ID2318866

More details:

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

(4,5,6-Trihydroxy-3,10,13,13-tetramethyl-15-oxotetracyclo[7.5.1.01,5.012,14]pentadeca-2,7-dien-7-yl)methyl palmitate [ACD/IUPAC Name]
(4,5,6-Trihydroxy-3,10,13,13-tetramethyl-15-oxotetracyclo[7.5.1.01,5.012,14]pentadeca-2,7-dien-7-yl)methylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (1a,2,3,4,7,7a,8,10b-octahydro-7,7a,8-trihydroxy-1,1,3,9-tetramethyl-11-oxo-1H-4,10a-methanocyclopenta[a]cyclopropa[c]cyclodecen-6-yl)methyl ester [ACD/Index Name]
Palmitate de (4,5,6-trihydroxy-3,10,13,13-tétraméthyl-15-oxotétracyclo[7.5.1.01,5.012,14]pentadéca-2,7-dién-7-yl)méthyle [French] [ACD/IUPAC Name]
74111-26-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 198.1±25.0 °C
Index of Refraction: 1.549
Molar Refractivity: 166.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 10.92
ACD/LogD (pH 5.5): 10.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 523.2±5.0 cm3

Click to predict properties on the Chemicalize site


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