ChemSpider 2D Image | 2-[(3alpha,4beta,5beta,8alpha,9beta,10alpha,13alpha,14beta,15beta)-18-Acetoxy-4-(2-acetoxyethyl)-15-isopropenyl-4,9-dimethylandrostan-3-yl]-2-methylpropyl acetate | C36H58O6

2-[(3α,4β,5β,8α,9β,10α,13α,14β,15β)-18-Acetoxy-4-(2-acetoxyethyl)-15-isopropenyl-4,9-dimethylandrostan-3-yl]-2-methylpropyl acetate

  • Molecular FormulaC36H58O6
  • Average mass586.842 Da
  • Monoisotopic mass586.423340 Da
  • ChemSpider ID9402136

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-[(3α,4β,5β,8α,9β,10α,13α,14β,15β)-18-Acetoxy-4-(2-acetoxyethyl)-15-isopropenyl-4,9-dimethylandrostan-3-yl]-2-methylpropyl acetate [ACD/IUPAC Name]
2-[(3α,4β,5β,8α,9β,10α,13α,14β,15β)-18-Acetoxy-4-(2-acetoxyethyl)-15-isopropenyl-4,9-dimethylandrostan-3-yl]-2-methylpropyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-[(3α,4β,5β,8α,9β,10α,13α,14β,15β)-18-acétoxy-4-(2-acétoxyéthyl)-15-isopropényl-4,9-diméthylandrostan-3-yl]-2-méthylpropyle [French] [ACD/IUPAC Name]
Androstan-18-ol, 3-[2-(acetyloxy)-1,1-dimethylethyl]-4-[2-(acetyloxy)ethyl]-4,9-dimethyl-15-(1-methylethenyl)-, acetate, (3α,4β,5β,8α,9β,10α,13α,14β,15β)- [ACD/Index Name]
2,3-Secolup-20(29)-en-2,3,28-triyl Triacetate
2-[(3α,4β,5β,8α,9β,10α,13α,14β,15β)-18-(acetyloxy)-4-[2-(acetyloxy)ethyl]-4,9-dimethyl-15-(prop-1-en-2-yl)androstan-3-yl]-2-methylpropyl acetate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 589.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 238.5±20.4 °C
Index of Refraction: 1.494
Molar Refractivity: 165.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.96
ACD/LogD (pH 5.5): 9.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3090446.50
ACD/LogD (pH 7.4): 9.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3090446.50
Polar Surface Area: 79 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 567.2±3.0 cm3

Click to predict properties on the Chemicalize site


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