ChemSpider 2D Image | 4-(1-Acetoxy-12a-methyl-8-phenyl-2,3,3a,3b,4,5,10b,11,12,12a-decahydro-1H-cyclopenta[7,8]phenanthro[2,3-b]furan-9-yl)phenyl acetate | C36H36O5

4-(1-Acetoxy-12a-methyl-8-phenyl-2,3,3a,3b,4,5,10b,11,12,12a-decahydro-1H-cyclopenta[7,8]phenanthro[2,3-b]furan-9-yl)phenyl acetate

  • Molecular FormulaC36H36O5
  • Average mass548.668 Da
  • Monoisotopic mass548.256287 Da
  • ChemSpider ID233159

More details:

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

1H-Cyclopenta[7,8]phenanthro[2,3-b]furan-1-ol, 9-[4-(acetyloxy)phenyl]-2,3,3a,3b,4,5,10b,11,12,12a-decahydro-12a-methyl-8-phenyl-, acetate [ACD/Index Name]
4-(1-Acetoxy-12a-methyl-8-phenyl-2,3,3a,3b,4,5,10b,11,12,12a-decahydro-1H-cyclopenta[7,8]phenanthro[2,3-b]furan-9-yl)phenyl acetate [ACD/IUPAC Name]
4-(1-Acetoxy-12a-methyl-8-phenyl-2,3,3a,3b,4,5,10b,11,12,12a-decahydro-1H-cyclopenta[7,8]phenanthro[2,3-b]furan-9-yl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-(1-acétoxy-12a-méthyl-8-phényl-2,3,3a,3b,4,5,10b,11,12,12a-décahydro-1H-cyclopenta[7,8]phénanthro[2,3-b]furan-9-yl)phényle [French] [ACD/IUPAC Name]

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

NSC101242 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 8.09
ACD/BCF (pH 5.5): 832732.50
ACD/KOC (pH 5.5): 601820.69
ACD/LogD (pH 7.4): 8.09
ACD/BCF (pH 7.4): 832732.50
ACD/KOC (pH 7.4): 601820.69
Polar Surface Area: 66 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 434.6±5.0 cm3

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