ChemSpider 2D Image | Dimethyl 2-acetoxy-12a-hydroxy-4a,6a-dimethyl-9-oxo-2,3,4,4a,4b,5,6,6a,6b,7,9,10,11,11a,12,12a,12b,13,14,14a-icosahydro-1H-naphtho[1',2':7,8]fluoreno[3,4-c]furan-10,11-dicarboxylate | C31H42O9

Dimethyl 2-acetoxy-12a-hydroxy-4a,6a-dimethyl-9-oxo-2,3,4,4a,4b,5,6,6a,6b,7,9,10,11,11a,12,12a,12b,13,14,14a-icosahydro-1H-naphtho[1',2':7,8]fluoreno[3,4-c]furan-10,11-dicarboxylate

  • Molecular FormulaC31H42O9
  • Average mass558.660 Da
  • Monoisotopic mass558.282898 Da
  • ChemSpider ID4422200

More details:

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

1H-Naphtho[1',2':7,8]fluoreno[3,4-c]furan-10,11-dicarboxylic acid, 2-(acetyloxy)-2,3,4,4a,4b,5,6,6a,6b,7,9,10,11,11a,12,12a,12b,13,14,14a-eicosahydro-12a-hydroxy-4a,6a-dimethyl-9-oxo-, dimethyl ester [ACD/Index Name]
2-Acétoxy-12a-hydroxy-4a,6a-diméthyl-9-oxo-2,3,4,4a,4b,5,6,6a,6b,7,9,10,11,11a,12,12a,12b,13,14,14a-icosahydro-1H-naphto[1',2':7,8]fluoréno[3,4-c]furane-10,11-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2-acetoxy-12a-hydroxy-4a,6a-dimethyl-9-oxo-2,3,4,4a,4b,5,6,6a,6b,7,9,10,11,11a,12,12a,12b,13,14,14a-icosahydro-1H-naphtho[1',2':7,8]fluoreno[3,4-c]furan-10,11-dicarboxylate [ACD/IUPAC Name]
Dimethyl-2-acetoxy-12a-hydroxy-4a,6a-dimethyl-9-oxo-2,3,4,4a,4b,5,6,6a,6b,7,9,10,11,11a,12,12a,12b,13,14,14a-icosahydro-1H-naphtho[1',2':7,8]fluoreno[3,4-c]furan-10,11-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 215.0±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 723.19
ACD/KOC (pH 5.5): 3874.84
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 723.19
ACD/KOC (pH 7.4): 3874.84
Polar Surface Area: 125 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 430.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement