ChemSpider 2D Image | (2R,6R,7R,10S,12R,13R,14R)-13-Hydroxy-4,4,7,17,18,18-hexamethyl-11-methylene-16-oxo-3,5-dioxatetracyclo[12.3.1.0~2,6~.0~7,12~]octadec-1(17)-en-10-yl (2E)-3-phenylacrylate | C32H40O6

(2R,6R,7R,10S,12R,13R,14R)-13-Hydroxy-4,4,7,17,18,18-hexamethyl-11-methylene-16-oxo-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-10-yl (2E)-3-phenylacrylate

  • Molecular FormulaC32H40O6
  • Average mass520.656 Da
  • Monoisotopic mass520.282471 Da
  • ChemSpider ID9974795

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (2R,6R,7R,10S,12R,13R,14R)-13-hydroxy-4,4,7,17,18,18-hexaméthyl-11-méthylène-16-oxo-3,5-dioxatétracyclo[12.3.1.02,6.07,12]octadéc-1(17)-én-10-yle [French] [ACD/IUPAC Name]
(2R,6R,7R,10S,12R,13R,14R)-13-Hydroxy-4,4,7,17,18,18-hexamethyl-11-methylen-16-oxo-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-10-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2R,6R,7R,10S,12R,13R,14R)-13-Hydroxy-4,4,7,17,18,18-hexamethyl-11-methylene-16-oxo-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-10-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (3aR,8R,9R,9aR,11S,13aR,13bR)-3a,6,7,8,9,9a,10,11,12,13,13a,13b-dodecahydro-9-hydroxy-2,2,5,13a,14,14-hexamethyl-10-methylene-6-oxo-4,8-methanobenzo[3,4]cyclodeca[1,2-d]-1 ,3-dioxol-11-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 201.0±25.0 °C
Index of Refraction: 1.583
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8652.51
ACD/KOC (pH 5.5): 22897.95
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8652.51
ACD/KOC (pH 7.4): 22897.95
Polar Surface Area: 82 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 433.4±5.0 cm3

Click to predict properties on the Chemicalize site


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