ChemSpider 2D Image | 15-Hydroxy-7-oxoabieta-8(14),9(11),12-trien-18-oic acid | C20H26O4

15-Hydroxy-7-oxoabieta-8(14),9(11),12-trien-18-oic acid

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID23550914

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

15-Hydroxy-7-oxoabieta-8(14),9(11),12-trien-18-oic acid [ACD/IUPAC Name]
15-Hydroxy-7-oxoabieta-8(14),9(11),12-trien-18-säure [German] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-9-oxo-, (1R,4aS,10aR)- [ACD/Index Name]
Acide 15-hydroxy-7-oxoabiéta-8(14),9(11),12-trién-18-oïque [French] [ACD/IUPAC Name]
[95416-25-4] [RN]
15-hydroxy-7-oxo-8,11,13-abietatrien-18-oic acid
15-Hydroxy-7-oxodehydroabietic acid
95416-25-4 [RN]
MFCD20260831

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 283.8±26.6 °C
Index of Refraction: 1.563
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 25.59
ACD/KOC (pH 5.5): 181.98
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.86
Polar Surface Area: 75 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 277.8±3.0 cm3

Click to predict properties on the Chemicalize site


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