ChemSpider 2D Image | (8alpha,9beta,10alpha,15alpha,17beta)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-14,15-epoxyandrosta-1,5-diene-3,7-dione | C26H30O5

(8α,9β,10α,15α,17β)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-14,15-epoxyandrosta-1,5-diene-3,7-dione

  • Molecular FormulaC26H30O5
  • Average mass422.513 Da
  • Monoisotopic mass422.209320 Da
  • ChemSpider ID24604963
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(8α,9β,10α,15α,17β)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-14,15-epoxyandrosta-1,5-dien-3,7-dion [German] [ACD/IUPAC Name]
(8α,9β,10α,15α,17β)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-14,15-epoxyandrosta-1,5-diene-3,7-dione [ACD/IUPAC Name]
(8α,9β,10α,15α,17β)-17-(3-Furyl)-6-hydroxy-4,4,8-triméthyl-14,15-époxyandrosta-1,5-diène-3,7-dione [French] [ACD/IUPAC Name]
Androsta-1,5-diene-3,7-dione, 14,15-epoxy-17-(3-furanyl)-6-hydroxy-4,4,8-trimethyl-, (8α,9β,10α,15α,17β)- [ACD/Index Name]
Cedrelone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 584.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 307.1±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.14
ACD/KOC (pH 5.5): 1914.43
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 254.05
ACD/KOC (pH 7.4): 1800.36
Polar Surface Area: 80 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 324.7±5.0 cm3

Click to predict properties on the Chemicalize site






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