ChemSpider 2D Image | 11-Hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-19-yl 4-hydroxybenzoate | C27H30O5

11-Hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-19-yl 4-hydroxybenzoate

  • Molecular FormulaC27H30O5
  • Average mass434.524 Da
  • Monoisotopic mass434.209320 Da
  • ChemSpider ID57641877
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

11-Hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-19-yl 4-hydroxybenzoate [ACD/IUPAC Name]
11-Hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-19-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de 11-hydroxy-12-oxoabiéta-5,7,9(11),13-tétraén-19-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, [(1S,4aS)-1,2,3,4,4a,6-hexahydro-5-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-1-phenanthrenyl]methyl ester [ACD/Index Name]
11-Hydroxy-19-(4-hydroxybenzoyloxy)-abieta-5,7,9(11),13-tetraene-12-one
66656-56-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 668.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 226.1±25.0 °C
Index of Refraction: 1.623
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 23005.32
ACD/KOC (pH 5.5): 46077.04
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 19278.99
ACD/KOC (pH 7.4): 38613.62
Polar Surface Area: 84 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 344.2±5.0 cm3

Click to predict properties on the Chemicalize site






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