ChemSpider 2D Image | 3-{2-[13-(Acetoxymethyl)-13-hydroxy-8-methylpodocarpan-14-yl]-1-hydroxyethyl}-5-oxo-2,5-dihydro-2-furanyl (2E)-3-phenylacrylate | C36H48O8

3-{2-[13-(Acetoxymethyl)-13-hydroxy-8-methylpodocarpan-14-yl]-1-hydroxyethyl}-5-oxo-2,5-dihydro-2-furanyl (2E)-3-phenylacrylate

  • Molecular FormulaC36H48O8
  • Average mass608.761 Da
  • Monoisotopic mass608.334900 Da
  • ChemSpider ID35015162

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Phénylacrylate de 3-{2-[13-(acétoxyméthyl)-13-hydroxy-8-méthylpodocarpan-14-yl]-1-hydroxyéthyl}-5-oxo-2,5-dihydro-2-furanyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, 3-[2-[2-[(acetyloxy)methyl]tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl-1-phenanthrenyl]-1-hydroxyethyl]-2,5-dihydro-5-oxo-2-furanyl ester, (2E)- [ACD/Index Name]
3-{2-[13-(Acetoxymethyl)-13-hydroxy-8-methylpodocarpan-14-yl]-1-hydroxyethyl}-5-oxo-2,5-dihydro-2-furanyl (2E)-3-phenylacrylate [ACD/IUPAC Name]
3-{2-[13-(Acetoxymethyl)-13-hydroxy-8-methylpodocarpan-14-yl]-1-hydroxyethyl}-5-oxo-2,5-dihydro-2-furanyl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
24-Acetyl- 25-cinnamoylvulgaroside
3-(2-{2-[(acetyloxy)methyl]-2-hydroxy-4b,8,8,10a-tetramethyl-decahydrophenanthren-1-yl}-1-hydroxyethyl)-5-oxo-2H-furan-2-yl (2E)-3-phenylprop-2-enoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 728.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 223.2±26.4 °C
Index of Refraction: 1.582
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 73497.40
ACD/KOC (pH 5.5): 105890.63
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 73497.40
ACD/KOC (pH 7.4): 105890.63
Polar Surface Area: 119 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 496.4±5.0 cm3

Click to predict properties on the Chemicalize site


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