ChemSpider 2D Image | Methyl (5xi,13xi)-abiet-7-en-18-oate | C21H34O2

Methyl (5ξ,13ξ)-abiet-7-en-18-oate

  • Molecular FormulaC21H34O2
  • Average mass318.493 Da
  • Monoisotopic mass318.255890 Da
  • ChemSpider ID57381134

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5ξ,13ξ)-Abiét-7-én-18-oate de méthyle [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bS)- [ACD/Index Name]
Methyl (5ξ,13ξ)-abiet-7-en-18-oate [ACD/IUPAC Name]
Methyl-(5ξ,13ξ)-abiet-7-en-18-oat [German] [ACD/IUPAC Name]
(1R,4aR,4bS)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
30968-45-7 [RN]
MFCD00466887

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

Density: 1.0±0.1 g/cm3
Boiling Point: 389.0±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 183.5±12.4 °C
Index of Refraction: 1.509
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 100048.54
ACD/KOC (pH 5.5): 132047.42
ACD/LogD (pH 7.4): 6.88
ACD/BCF (pH 7.4): 100048.54
ACD/KOC (pH 7.4): 132047.42
Polar Surface Area: 26 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 36.1±5.0 dyne/cm
Molar Volume: 316.9±5.0 cm3

Click to predict properties on the Chemicalize site


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