ChemSpider 2D Image | Diethyl 1-acetoxy-1,8b,10a-trimethyl-7-oxohexadecahydrocyclopenta[a]cyclopropa[g]phenanthrene-8,8(1H)-dicarboxylate | C29H42O7

Diethyl 1-acetoxy-1,8b,10a-trimethyl-7-oxohexadecahydrocyclopenta[a]cyclopropa[g]phenanthrene-8,8(1H)-dicarboxylate

  • Molecular FormulaC29H42O7
  • Average mass502.640 Da
  • Monoisotopic mass502.293060 Da
  • ChemSpider ID470987

More details:

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

1-Acétoxy-1,8b,10a-triméthyl-7-oxohexadécahydrocyclopenta[a]cyclopropa[g]phénanthrène-8,8(1H)-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Cyclopenta[a]cyclopropa[g]phenanthrene-8,8(1H)-dicarboxylic acid, 1-(acetyloxy)hexadecahydro-1,8b,10a-trimethyl-7-oxo-, diethyl ester [ACD/Index Name]
Diethyl 1-acetoxy-1,8b,10a-trimethyl-7-oxohexadecahydrocyclopenta[a]cyclopropa[g]phenanthrene-8,8(1H)-dicarboxylate [ACD/IUPAC Name]
Diethyl-1-acetoxy-1,8b,10a-trimethyl-7-oxohexadecahydrocyclopenta[a]cyclopropa[g]phenanthren-8,8(1H)-dicarboxylat [German] [ACD/IUPAC Name]
17β-Acetoxy-1',1'-dicarboethoxy-1β,2β-dihydro-17α-methyl(3'H)cycloprop[1,2]-5α-androst-1-en-3-one
17β-Acetoxy-1',1'-dicarboethoxy-1β,2β-dihydro-17α-methyl-3'H-cycloprop[1,2]-5α-androst-1-en-3-one
Diethyl 6-(acetyloxy)-3b,5a,6-trimethyl-2-oxohexadecahydrocyclopenta[a]cyclopropa[g]phenanthrene-3,3(1H)-dicarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 542.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 226.9±30.2 °C
Index of Refraction: 1.540
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7873.81
ACD/KOC (pH 5.5): 21403.27
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7873.81
ACD/KOC (pH 7.4): 21403.27
Polar Surface Area: 96 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 419.8±5.0 cm3

Click to predict properties on the Chemicalize site


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