ChemSpider 2D Image | (3beta,4alpha,5alpha,9beta)-4,14-Dimethyl-9,19-cycloergost-24(28)-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C40H58O4

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

  • Molecular FormulaC40H58O4
  • Average mass602.886 Da
  • Monoisotopic mass602.433533 Da
  • ChemSpider ID8969033

  • 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-méthoxyphényl)acrylate de (3β,4α,5α,9β)-4,14-diméthyl-9,19-cycloergost-24(28)-én-3-yle [French] [ACD/IUPAC Name]
(3β,4α,5α,9β)-4,14-Dimethyl-9,19-cycloergost-24(28)-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(3β,4α,5α,9β)-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(3β,4α,5α,9β)-4,14-Dimethyl-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)-, (3β,4α,5α,9β)-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-yl ester, (2E)- [ACD/Index Name]
cycloeucalenol ferulate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 665.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 194.7±20.8 °C
Index of Refraction: 1.565
Molar Refractivity: 178.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 12.66
ACD/LogD (pH 5.5): 10.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 547.4±5.0 cm3

Click to predict properties on the Chemicalize site


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