ChemSpider 2D Image | hirtin | C32H36O11

hirtin

  • Molecular FormulaC32H36O11
  • Average mass596.622 Da
  • Monoisotopic mass596.225769 Da
  • ChemSpider ID10213989

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(4β,11β,12α,13α,14β,15β,17α)-11-Acétoxy-17-(3-furyl)-6-hydroxy-4,8-diméthyl-3,7-dioxo-12-(propionyloxy)-14,15-époxyandrosta-1,5-diène-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Androsta-1,5-diene-4-carboxylic acid, 11-(acetyloxy)-14,15-epoxy-17-(3-furanyl)-6-hydroxy-4,8-dimethyl-3,7-dioxo-12-(1-oxopropoxy)-, methyl ester, (4β,11β,12α,13α,14β,15β,17α)- [ACD/Index Name]
hirtin
Methyl (4β,11β,12α,13α,14β,15β,17α)-11-acetoxy-17-(3-furyl)-6-hydroxy-4,8-dimethyl-3,7-dioxo-12-(propionyloxy)-14,15-epoxyandrosta-1,5-diene-4-carboxylate [ACD/IUPAC Name]
Methyl-(4β,11β,12α,13α,14β,15β,17α)-11-acetoxy-17-(3-furyl)-6-hydroxy-4,8-dimethyl-3,7-dioxo-12-(propionyloxy)-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: 701.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.2±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.08
ACD/KOC (pH 5.5): 1804.28
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 180.71
ACD/KOC (pH 7.4): 1309.01
Polar Surface Area: 159 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 430.5±5.0 cm3

Click to predict properties on the Chemicalize site


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