ChemSpider 2D Image | (5beta,10alpha)-Abieta-8,11,13-trien-19-oic acid | C20H28O2

(5β,10α)-Abieta-8,11,13-trien-19-oic acid

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID24743255
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(5β,10α)-Abieta-8,11,13-trien-19-oic acid [ACD/IUPAC Name]
(5β,10α)-Abieta-8,11,13-trien-19-säure [German] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1S,4aR,10aS)- [ACD/Index Name]
Acide (5β,10α)-abiéta-8,11,13-trién-19-oïque [French] [ACD/IUPAC Name]
(-)-Dehydroabietic acid
(1S,4aR,10aS)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
(1S,4aR,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid
13-Isopropylpodocarpa-8,11,13-trien-15-oic acid
Dehydroabietate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 202.5±20.3 °C
Index of Refraction: 1.540
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 2347.04
ACD/KOC (pH 5.5): 4996.17
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 37.01
ACD/KOC (pH 7.4): 78.78
Polar Surface Area: 37 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 283.7±3.0 cm3

Click to predict properties on the Chemicalize site






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