ChemSpider 2D Image | xylomexicanin C | C31H36O10

xylomexicanin C

  • Molecular FormulaC31H36O10
  • Average mass568.612 Da
  • Monoisotopic mass568.230835 Da
  • ChemSpider ID28945514

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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(R)-[(1R,5R,8aR)-1-(3-Furyl)-5-hydroxy-8a-methyl-3,6-dioxo-3,5,6,7,8,8a-hexahydro-1H-isochromen-5-yl][(4R,5R)-4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxo-1-cyclohexen-1-yl]methyl methacrylate [ACD/IUPAC Name]
(R)-[(1R,5R,8aR)-1-(3-Furyl)-5-hydroxy-8a-methyl-3,6-dioxo-3,5,6,7,8,8a-hexahydro-1H-isochromen-5-yl][(4R,5R)-4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxo-1-cyclohexen-1-yl]methylmethacrylat [German] [ACD/IUPAC Name]
3-Cyclohexene-1-acetic acid, 4-[(R)-[(1R,5R,8aR)-1-(3-furanyl)-3,5,6,7,8,8a-hexahydro-5-hydroxy-8a-methyl-3,6-dioxo-1H-2-benzopyran-5-yl][(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]-2,2,6-trimethyl-5-ox o-, methyl ester, (1R,6R)- [ACD/Index Name]
Méthacrylate de (R)-[(1R,5R,8aR)-1-(3-furyl)-5-hydroxy-8a-méthyl-3,6-dioxo-3,5,6,7,8,8a-hexahydro-1H-isochromén-5-yl][(4R,5R)-4-(2-méthoxy-2-oxoéthyl)-3,3,5-triméthyl-6-oxo-1-cyclohexén-1-yl]méthyle [French] [ACD/IUPAC Name]
xylomexicanin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.4±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1046.79
ACD/KOC (pH 5.5): 5049.08
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1044.22
ACD/KOC (pH 7.4): 5036.65
Polar Surface Area: 146 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 439.9±5.0 cm3

Click to predict properties on the Chemicalize site


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