ChemSpider 2D Image | 15-Methoxyabieta-8,11,13-trien-18-oic acid | C21H30O3

15-Methoxyabieta-8,11,13-trien-18-oic acid

  • Molecular FormulaC21H30O3
  • Average mass330.461 Da
  • Monoisotopic mass330.219482 Da
  • ChemSpider ID24653111

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

15-Methoxyabieta-8,11,13-trien-18-oic acid [ACD/IUPAC Name]
15-Methoxyabieta-8,11,13-trien-18-säure [German] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-7-(1-methoxy-1-methylethyl)-1,4a-dimethyl-, (1R,4aS,10aR)- [ACD/Index Name]
Acide 15-méthoxyabiéta-8,11,13-trién-18-oïque [French] [ACD/IUPAC Name]
[1159913-80-0] [RN]
1159913-80-0 [RN]
15-methoxydidehydroabietic acid
ABIESADINE N
MFCD20261024

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

Density: 1.1±0.1 g/cm3
Boiling Point: 436.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 145.1±22.2 °C
Index of Refraction: 1.532
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 1474.09
ACD/KOC (pH 5.5): 3579.12
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 23.24
ACD/KOC (pH 7.4): 56.43
Polar Surface Area: 47 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 306.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement