ChemSpider 2D Image | Abieta-8,11,13-trien-12-yl 4-(1H-indol-3-yl)butanoate | C32H41NO2

Abieta-8,11,13-trien-12-yl 4-(1H-indol-3-yl)butanoate

  • Molecular FormulaC32H41NO2
  • Average mass471.673 Da
  • Monoisotopic mass471.313721 Da
  • ChemSpider ID58121792

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-3-butanoic acid, (4bS,8aS)-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-3-phenanthrenyl ester [ACD/Index Name]
4-(1H-Indol-3-yl)butanoate d'abiéta-8,11,13-trién-12-yle [French] [ACD/IUPAC Name]
Abieta-8,11,13-trien-12-yl 4-(1H-indol-3-yl)butanoate [ACD/IUPAC Name]
Abieta-8,11,13-trien-12-yl-4-(1H-indol-3-yl)butanoat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3343888/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 603.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.5±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 145.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.19
ACD/LogD (pH 5.5): 9.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2275576.50
ACD/LogD (pH 7.4): 9.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2275576.50
Polar Surface Area: 42 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 435.3±3.0 cm3

Click to predict properties on the Chemicalize site


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