ChemSpider 2D Image | 3-{[(3alpha,9beta,13beta,14beta)-3-Acetoxy-8,13-dimethylpodocarp-5-en-14-yl]methyl}-4-methoxy-5-methylphenyl acetate | C32H46O5

3-{[(3α,9β,13β,14β)-3-Acetoxy-8,13-dimethylpodocarp-5-en-14-yl]methyl}-4-methoxy-5-methylphenyl acetate

  • Molecular FormulaC32H46O5
  • Average mass510.705 Da
  • Monoisotopic mass510.334534 Da
  • ChemSpider ID35516950

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-Phenanthrenol, 8-[[5-(acetyloxy)-2-methoxy-3-methylphenyl]methyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-1,1,4a,7,8a-pentamethyl-, acetate, (2R,4aR,4bR,7R,8R,8aS)- [ACD/Index Name]
3-{[(3α,9β,13β,14β)-3-Acetoxy-8,13-dimethylpodocarp-5-en-14-yl]methyl}-4-methoxy-5-methylphenyl acetate [ACD/IUPAC Name]
3-{[(3α,9β,13β,14β)-3-Acetoxy-8,13-dimethylpodocarp-5-en-14-yl]methyl}-4-methoxy-5-methylphenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-{[(3α,9β,13β,14β)-3-acétoxy-8,13-diméthylpodocarp-5-én-14-yl]méthyl}-4-méthoxy-5-méthylphényle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 228.1±30.2 °C
Index of Refraction: 1.542
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.02
ACD/LogD (pH 5.5): 8.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1143247.50
ACD/LogD (pH 7.4): 8.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1143247.50
Polar Surface Area: 62 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 464.1±5.0 cm3

Click to predict properties on the Chemicalize site


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