ChemSpider 2D Image | 4-[(15-Hydroxyabieta-8,11,13-trien-18-yl)oxy]-4-oxobutanoic acid | C24H34O5

4-[(15-Hydroxyabieta-8,11,13-trien-18-yl)oxy]-4-oxobutanoic acid

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID24652480
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

4-[(15-Hydroxyabieta-8,11,13-trien-18-yl)oxy]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(15-Hydroxyabieta-8,11,13-trien-18-yl)oxy]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(15-hydroxyabiéta-8,11,13-trién-18-yl)oxy]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1-phenanthrenyl]methyl] ester [ACD/Index Name]
1210347-50-4 [RN]
Abiesadine I

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 181.1±22.2 °C
Index of Refraction: 1.537
Molar Refractivity: 110.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 225.03
ACD/KOC (pH 5.5): 813.20
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 12.92
Polar Surface Area: 84 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 354.3±3.0 cm3

Click to predict properties on the Chemicalize site





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