ChemSpider 2D Image | Epoxyazadiradione | C28H34O6

Epoxyazadiradione

  • Molecular FormulaC28H34O6
  • Average mass466.566 Da
  • Monoisotopic mass466.235535 Da
  • ChemSpider ID21185068
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(5α,7α,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-3,16-dioxo-14,15-epoxyandrost-1-en-7-yl acetate [ACD/IUPAC Name]
(5α,7α,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-3,16-dioxo-14,15-epoxyandrost-1-en-7-yl-acetat [German] [ACD/IUPAC Name]
18385-59-6 [RN]
Acétate de (5α,7α,13α,14β,15β,17α)-17-(3-furyl)-4,4,8-triméthyl-3,16-dioxo-14,15-époxyandrost-1-én-7-yle [French] [ACD/IUPAC Name]
Androst-1-ene-3,16-dione, 7-(acetyloxy)-14,15-epoxy-17-(3-furanyl)-4,4,8-trimethyl-, (5α,7α,13α,14β,15β,17α)- [ACD/Index Name]
Epoxyazadiradione
(5α,7α,13α,14β,15β,17α)-17-(furan-3-yl)-4,4,8-trimethyl-3,16-dioxo-14,15-epoxyandrost-1-en-7-yl acetate
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67285
nimbinin
  • Miscellaneous
    • Chemical Class:

      A limonoid that is azadiradione with an epoxy group across positions 14 and 15. Isolated from <ital>Azadirachta indica</ital> it exhibits insecticidal activitry against mosquitoes. ChEBI CHEBI:67285
      A limonoid that is azadiradione with an epoxy group across positions 14 and 15. Isolated from Azadirachta indica it exhibits insecticidal activitry against mosquitoes. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67285

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.0±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 275.42
ACD/KOC (pH 5.5): 1941.59
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 275.42
ACD/KOC (pH 7.4): 1941.59
Polar Surface Area: 86 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 370.6±5.0 cm3

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