ChemSpider 2D Image | Methyl (1alpha,5xi,7alpha,13alpha,14alpha)-1,7,14-triacetoxypimara-8,15-dien-18-oate | C27H38O8

Methyl (1α,5ξ,7α,13α,14α)-1,7,14-triacetoxypimara-8,15-dien-18-oate

  • Molecular FormulaC27H38O8
  • Average mass490.586 Da
  • Monoisotopic mass490.256653 Da
  • ChemSpider ID21615482

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1α,5ξ,7α,13α,14α)-1,7,14-Triacétoxypimara-8,15-dién-18-oate de méthyle [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 4,8,9-tris(acetyloxy)-7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, (1R,4S,4aS,7R,8S,9R)- [ACD/Index Name]
Methyl (1α,5ξ,7α,13α,14α)-1,7,14-triacetoxypimara-8,15-dien-18-oate [ACD/IUPAC Name]
Methyl-(1α,5ξ,7α,13α,14α)-1,7,14-triacetoxypimara-8,15-dien-18-oat [German] [ACD/IUPAC Name]
8,15-Isopimaradiene-1,7,14,18-tetrol, 18-Carboxyli
BRD-A30223231-001-01-8
methyl (1R,4S,4aS,7R,8S,9R)-4,8,9-triacetyloxy-7-ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 220.3±30.2 °C
Index of Refraction: 1.522
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7753.91
ACD/KOC (pH 5.5): 21169.46
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7753.91
ACD/KOC (pH 7.4): 21169.46
Polar Surface Area: 105 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 417.9±5.0 cm3

Click to predict properties on the Chemicalize site


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