ChemSpider 2D Image | Methyl (2Z)-3-[4,5-diacetoxy-9-(3-furyl)-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylate | C31H38O11

Methyl (2Z)-3-[4,5-diacetoxy-9-(3-furyl)-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylate

  • Molecular FormulaC31H38O11
  • Average mass586.627 Da
  • Monoisotopic mass586.241394 Da
  • ChemSpider ID4477439
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-3-[4,5-Diacétoxy-9-(3-furyl)-3,3,5a,9a-tétraméthyl-7-oxododécahydro[2]benzofuro[5,4-f]oxiréno[d]isochromén-11b(1H)-yl]acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4,5-bis(acetyloxy)-9-(3-furanyl)dodecahydro-3,3,5a,9a-tetramethyl-7-oxofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-3-[4,5-diacetoxy-9-(3-furyl)-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylate [ACD/IUPAC Name]
Methyl-(2Z)-3-[4,5-diacetoxy-9-(3-furyl)-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylat [German] [ACD/IUPAC Name]
Limonoid [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 665.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.5±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.93
ACD/KOC (pH 5.5): 815.15
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.93
ACD/KOC (pH 7.4): 815.15
Polar Surface Area: 140 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 440.0±5.0 cm3

Click to predict properties on the Chemicalize site






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