ChemSpider 2D Image | 5-{(2E,6E)-8-[(1R,2R,6R)-2-Hydroxy-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl}-3-methyldihydro-2(3H)-furanone | C24H36O6

5-{(2E,6E)-8-[(1R,2R,6R)-2-Hydroxy-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl}-3-methyldihydro-2(3H)-furanone

  • Molecular FormulaC24H36O6
  • Average mass420.539 Da
  • Monoisotopic mass420.251190 Da
  • ChemSpider ID28286312

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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Natural Product Updates

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

2(3H)-Furanone, dihydro-5-[(2E,6E)-8-[(1R,2R,6R)-2-hydroxy-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl]-3-methyl- [ACD/Index Name]
5-{(2E,6E)-8-[(1R,2R,6R)-2-Hydroxy-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl}-3-methyldihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
5-{(2E,6E)-8-[(1R,2R,6R)-2-Hydroxy-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl}-3-methyldihydro-2(3H)-furanone [ACD/IUPAC Name]
5-{(2E,6E)-8-[(1R,2R,6R)-2-Hydroxy-3,4-diméthoxy-6-méthyl-5-oxo-3-cyclohexén-1-yl]-2,6-diméthyl-2,6-octadién-1-yl}-3-méthyldihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
antroquinonol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.6±6.0 kJ/mol
Flash Point: 204.9±25.0 °C
Index of Refraction: 1.522
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 357.68
ACD/KOC (pH 5.5): 2340.99
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 357.68
ACD/KOC (pH 7.4): 2340.97
Polar Surface Area: 82 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 376.5±5.0 cm3

Click to predict properties on the Chemicalize site


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