ChemSpider 2D Image | Methyl (7alpha)-7,15-dihydroxyabieta-8,11,13-trien-18-oate | C21H30O4

Methyl (7α)-7,15-dihydroxyabieta-8,11,13-trien-18-oate

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID28425444

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7α)-7,15-Dihydroxyabiéta-8,11,13-trién-18-oate de méthyle [French] [ACD/IUPAC Name]
155205-65-5 [RN]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-9-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, methyl ester, (1R,4aS,9R,10aR)- [ACD/Index Name]
Methyl (7α)-7,15-dihydroxyabieta-8,11,13-trien-18-oate [ACD/IUPAC Name]
Methyl-(7α)-7,15-dihydroxyabieta-8,11,13-trien-18-oat [German] [ACD/IUPAC Name]
[155205-65-5] [RN]
Methyl 7,15-dihydroxydehydroabietate
MFCD20260946

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 158.0±22.2 °C
Index of Refraction: 1.549
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 289.86
ACD/KOC (pH 5.5): 2013.94
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 289.86
ACD/KOC (pH 7.4): 2013.94
Polar Surface Area: 67 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 303.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement