ChemSpider 2D Image | ?-sitosteryl ferulate | C39H58O4

?-sitosteryl ferulate

  • Molecular FormulaC39H58O4
  • Average mass590.875 Da
  • Monoisotopic mass590.433533 Da
  • ChemSpider ID8114061

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 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)-stigmast-5-én-3-yle [French] [ACD/IUPAC Name]
(3β)-Stigmast-5-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(3β)-Stigmast-5-en-3-yl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
?-sitosteryl ferulate
286011-30-1 [RN]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3β)-stigmast-5-en-3-yl ester, (2E)- [ACD/Index Name]
(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
11042-64-1 [RN]
3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate(3β)-Stigmast-5-en-3-ol
More...

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

4OLS68TN65 [DBID]
UNII:4OLS68TN65 [DBID]
UNII-4OLS68TN65 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 659.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 192.8±23.6 °C
Index of Refraction: 1.555
Molar Refractivity: 175.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 12.82
ACD/LogD (pH 5.5): 11.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 548.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement