ChemSpider 2D Image | (6aR,6bS,8aS,11R,12S,14bR)-8a-Methoxy-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl palmitate | C46H80O3

(6aR,6bS,8aS,11R,12S,14bR)-8a-Methoxy-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl palmitate

  • Molecular FormulaC46H80O3
  • Average mass681.126 Da
  • Monoisotopic mass680.610718 Da
  • ChemSpider ID4475281

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(6aR,6bS,8aS,11R,12S,14bR)-8a-Methoxy-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenyl palmitate [ACD/IUPAC Name]
(6aR,6bS,8aS,11R,12S,14bR)-8a-Methoxy-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picenylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (6aR,6bS,8aS,11R,12S,14bR)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-8a-methoxy-4,4,6a,6b,11,12,14b-heptamethyl-3-picenyl ester [ACD/Index Name]
Palmitate de (6aR,6bS,8aS,11R,12S,14bR)-8a-méthoxy-4,4,6a,6b,11,12,14b-heptaméthyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-3-picényle [French] [ACD/IUPAC Name]
CTHD0233085 A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 673.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 298.4±26.1 °C
Index of Refraction: 1.515
Molar Refractivity: 208.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 17.55
ACD/LogD (pH 5.5): 16.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 36 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 39.0±5.0 dyne/cm
Molar Volume: 690.0±5.0 cm3

Click to predict properties on the Chemicalize site


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