ChemSpider 2D Image | Ethyl (10xi)-abieta-7,13-dien-18-oate | C22H34O2

Ethyl (10ξ)-abieta-7,13-dien-18-oate

  • Molecular FormulaC22H34O2
  • Average mass330.504 Da
  • Monoisotopic mass330.255890 Da
  • ChemSpider ID58817915
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(10ξ)-Abiéta-7,13-dién-18-oate d'éthyle [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, (1R,4bR,10aR)- [ACD/Index Name]
Ethyl (10ξ)-abieta-7,13-dien-18-oate [ACD/IUPAC Name]
Ethyl-(10ξ)-abieta-7,13-dien-18-oat [German] [ACD/IUPAC Name]
631-71-0 [RN]
ABIETIC ACID ETHYL ESTER
ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
ethyl (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 417.9±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 201.6±16.0 °C
Index of Refraction: 1.520
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 118183.27
ACD/KOC (pH 5.5): 148769.52
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 118183.27
ACD/KOC (pH 7.4): 148769.52
Polar Surface Area: 26 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 325.7±5.0 cm3

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