ChemSpider 2D Image | (3beta)-28-Hydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate | C41H60O6

(3β)-28-Hydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate

  • Molecular FormulaC41H60O6
  • Average mass648.911 Da
  • Monoisotopic mass648.438965 Da
  • ChemSpider ID552575

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxy-3,5-diméthoxyphényl)acrylate de (3β)-28-hydroxylup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
(3β)-28-Hydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate [ACD/IUPAC Name]
(3β)-28-Hydroxylup-20(29)-en-3-yl-(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (3β)-28-hydroxylup-20(29)-en-3-yl ester, (2E)- [ACD/Index Name]
3-(4-Hydroxy-3,5-dimethoxy-phenyl)-acrylic acid 3a-hydroxymethyl-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysen-9-yl ester
3β-trans-Sinapoyloxylup-20(29)-en-28-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 699.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 203.2±23.6 °C
Index of Refraction: 1.573
Molar Refractivity: 186.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.78
ACD/LogD (pH 5.5): 9.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3193141.00
ACD/LogD (pH 7.4): 9.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3179389.00
Polar Surface Area: 85 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 565.9±5.0 cm3

Click to predict properties on the Chemicalize site


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