ChemSpider 2D Image | (5alpha,14xi)-4,4,8-Trimethyl-9,19-cycloergost-24(28)-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C41H60O4

(5α,14ξ)-4,4,8-Trimethyl-9,19-cycloergost-24(28)-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

  • Molecular FormulaC41H60O4
  • Average mass616.913 Da
  • Monoisotopic mass616.449158 Da
  • ChemSpider ID21111890
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 9 defined stereocentres


More details:






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

(2E)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de (5α,14ξ)-4,4,8-triméthyl-9,19-cycloergost-24(28)-én-3-yle [French] [ACD/IUPAC Name]
(5α,14ξ)-4,4,8-Trimethyl-9,19-cycloergost-24(28)-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(5α,14ξ)-4,4,8-Trimethyl-9,19-cycloergost-24(28)-en-3-yl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (5α,14ξ)-4,4,8-trimethyl-9,19-cycloergost-24(28)-en-3-yl ester, (2E)- [ACD/Index Name]
Oryzanol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 668.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 193.5±20.8 °C
Index of Refraction: 1.564
Molar Refractivity: 183.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.20
ACD/LogD (pH 5.5): 11.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 563.2±5.0 cm3

Click to predict properties on the Chemicalize site






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