ChemSpider 2D Image | Ethyl (3beta)-3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}lup-20(29)-en-28-yl succinate | C45H64O7

Ethyl (3β)-3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}lup-20(29)-en-28-yl succinate

  • Molecular FormulaC45H64O7
  • Average mass716.985 Da
  • Monoisotopic mass716.465210 Da
  • ChemSpider ID9017855

  • 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

Butanedioic acid, ethyl (3β)-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]lup-20(29)-en-28-yl ester [ACD/Index Name]
Ethyl (3β)-3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}lup-20(29)-en-28-yl succinate [ACD/IUPAC Name]
Ethyl-(3β)-3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}lup-20(29)-en-28-yl-succinat [German] [ACD/IUPAC Name]
Succinate d'éthyle et de (3β)-3-{[(2E)-3-(4-hydroxyphényl)-2-propenoyl]oxy}lup-20(29)-én-28-yle [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: 729.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 206.3±20.8 °C
Index of Refraction: 1.563
Molar Refractivity: 203.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 12.82
ACD/LogD (pH 5.5): 11.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 99 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 627.0±5.0 cm3

Click to predict properties on the Chemicalize site


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