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

(2α)-11-Hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-2-yl 4-hydroxybenzoate

  • Molecular FormulaC27H30O5
  • Average mass434.524 Da
  • Monoisotopic mass434.209320 Da
  • ChemSpider ID57641876

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2α)-11-Hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-2-yl 4-hydroxybenzoate [ACD/IUPAC Name]
(2α)-11-Hydroxy-12-oxoabieta-5,7,9(11),13-tetraen-2-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (2α)-11-hydroxy-12-oxoabiéta-5,7,9(11),13-tétraén-2-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (3S,4aS)-1,2,3,4,4a,6-hexahydro-5-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-6-oxo-3-phenanthrenyl ester [ACD/Index Name]
66656-57-3 [RN]
Parviflorone D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 223.2±25.0 °C
Index of Refraction: 1.622
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27712.95
ACD/KOC (pH 5.5): 52641.21
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 22794.20
ACD/KOC (pH 7.4): 43297.96
Polar Surface Area: 84 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 344.9±5.0 cm3

Click to predict properties on the Chemicalize site


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