ChemSpider 2D Image | (2R,3S)-3-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-4-hydroxy-7-methoxy-2,3-dimethyl-2,3-dihydronaphtho[1,2-b]furan-6,9-dione | C26H32O5

(2R,3S)-3-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-4-hydroxy-7-methoxy-2,3-dimethyl-2,3-dihydronaphtho[1,2-b]furan-6,9-dione

  • Molecular FormulaC26H32O5
  • Average mass424.529 Da
  • Monoisotopic mass424.224976 Da
  • ChemSpider ID30771449

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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(2R,3S)-3-[2-(2,2-Dimethyl-6-methylencyclohexyl)ethyl]-4-hydroxy-7-methoxy-2,3-dimethyl-2,3-dihydronaphtho[1,2-b]furan-6,9-dion [German] [ACD/IUPAC Name]
(2R,3S)-3-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-4-hydroxy-7-methoxy-2,3-dimethyl-2,3-dihydronaphtho[1,2-b]furan-6,9-dione [ACD/IUPAC Name]
(2R,3S)-3-[2-(2,2-Diméthyl-6-méthylènecyclohexyl)éthyl]-4-hydroxy-7-méthoxy-2,3-diméthyl-2,3-dihydronaphto[1,2-b]furane-6,9-dione [French] [ACD/IUPAC Name]
Naphtho[1,2-b]furan-6,9-dione, 3-[2-(2,2-dimethyl-6-methylenecyclohexyl)ethyl]-2,3-dihydro-4-hydroxy-7-methoxy-2,3-dimethyl-, (2R,3S)- [ACD/Index Name]
marfuraquinocin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 202.5±25.0 °C
Index of Refraction: 1.583
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26139.05
ACD/KOC (pH 5.5): 49432.51
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 3863.44
ACD/KOC (pH 7.4): 7306.30
Polar Surface Area: 73 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 351.8±5.0 cm3

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