ChemSpider 2D Image | Methyl (4beta,9xi,11beta,12alpha,13alpha,14beta,15beta,17alpha)-17-(3-furyl)-6,11-dihydroxy-12-(isobutyryloxy)-4,8-dimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-diene-4-carboxylate | C31H36O10

Methyl (4β,9ξ,11β,12α,13α,14β,15β,17α)-17-(3-furyl)-6,11-dihydroxy-12-(isobutyryloxy)-4,8-dimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-diene-4-carboxylate

  • Molecular FormulaC31H36O10
  • Average mass568.612 Da
  • Monoisotopic mass568.230835 Da
  • ChemSpider ID9170567

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(4β,9ξ,11β,12α,13α,14β,15β,17α)-17-(3-Furyl)-6,11-dihydroxy-12-(isobutyryloxy)-4,8-diméthyl-3,7-dioxo-14,15-époxyandrosta-1,5-diène-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Androsta-1,5-diene-4-carboxylic acid, 14,15-epoxy-17-(3-furanyl)-6,11-dihydroxy-4,8-dimethyl-12-(2-methyl-1-oxopropoxy)-3,7-dioxo-, methyl ester, (4β,9ξ,11β,12α,13α,14β,15β,17alph a)- [ACD/Index Name]
Methyl (4β,9ξ,11β,12α,13α,14β,15β,17α)-17-(3-furyl)-6,11-dihydroxy-12-(isobutyryloxy)-4,8-dimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-diene-4-carboxylate [ACD/IUPAC Name]
Methyl-(4β,9ξ,11β,12α,13α,14β,15β,17α)-17-(3-furyl)-6,11-dihydroxy-12-(isobutyryloxy)-4,8-dimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 697.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.3±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 142.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.81
ACD/KOC (pH 5.5): 931.09
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 75.21
ACD/KOC (pH 7.4): 708.75
Polar Surface Area: 153 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 409.6±5.0 cm3

Click to predict properties on the Chemicalize site


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