ChemSpider 2D Image | (9beta,13alpha,15beta)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-11-yl acetate | C28H32O7

(9β,13α,15β)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-11-yl acetate

  • Molecular FormulaC28H32O7
  • Average mass480.549 Da
  • Monoisotopic mass480.214813 Da
  • ChemSpider ID26354722

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(9β,13α,15β)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-11-yl acetate [ACD/IUPAC Name]
(9β,13α,15β)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-3,7-dioxo-14,15-epoxyandrosta-1,5-dien-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (9β,13α,15β)-17-(3-furyl)-6-hydroxy-4,4,8-triméthyl-3,7-dioxo-14,15-époxyandrosta-1,5-dién-11-yle [French] [ACD/IUPAC Name]
Androsta-1,5-diene-3,7-dione, 11-(acetyloxy)-14,15-epoxy-17-(3-furanyl)-6-hydroxy-4,4,8-trimethyl-, (9β,13α,15β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 623.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.7±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.52
ACD/KOC (pH 5.5): 1295.12
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 141.30
ACD/KOC (pH 7.4): 1169.20
Polar Surface Area: 106 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 360.3±5.0 cm3

Click to predict properties on the Chemicalize site


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