ChemSpider 2D Image | hainangranatumin A | C32H40O10

hainangranatumin A

  • Molecular FormulaC32H40O10
  • Average mass584.654 Da
  • Monoisotopic mass584.262146 Da
  • ChemSpider ID27025124

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-2-Méthylbutanoate 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]
(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 (2R)-2-methylbutan oate [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]methyl-(2R)-2-methylbutan oat [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][(2R)-2-methyl-1-oxobutoxy]methyl]-2,2,6-trimethyl-5-oxo-, meth yl ester, (1R,6R)- [ACD/Index Name]
hainangranatumin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.4±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1759.44
ACD/KOC (pH 5.5): 7322.06
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1755.53
ACD/KOC (pH 7.4): 7305.77
Polar Surface Area: 146 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 461.4±5.0 cm3

Click to predict properties on the Chemicalize site


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