ChemSpider 2D Image | (3beta,9beta,13xi)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C40H58O4

(3β,9β,13ξ)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

  • Molecular FormulaC40H58O4
  • Average mass602.886 Da
  • Monoisotopic mass602.433533 Da
  • ChemSpider ID58816416

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 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 (3β,9β,13ξ)-9,19-cyclolanost-24-én-3-yle [French] [ACD/IUPAC Name]
(3β,9β,13ξ)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(3β,9β,13ξ)-9,19-Cyclolanost-24-en-3-yl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3β,9β,13ξ)-9,19-cyclolanost-24-en-3-yl ester, (2E)- [ACD/Index Name]
11042-64-1 [RN]
Oryzanol
γ-Oryzanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 663.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 193.8±20.8 °C
Index of Refraction: 1.570
Molar Refractivity: 178.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 12.85
ACD/LogD (pH 5.5): 11.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 544.6±5.0 cm3

Click to predict properties on the Chemicalize site


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