ChemSpider 2D Image | Azadiradione | C28H34O5

Azadiradione

  • Molecular FormulaC28H34O5
  • Average mass450.567 Da
  • Monoisotopic mass450.240631 Da
  • ChemSpider ID25044638

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,3bR,4R,5aR,9aR,9bR,11aS)-1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-2,7-dioxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate
(5α,7α,13α,17α)-17-(3-Furyl)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate [ACD/IUPAC Name]
(5α,7α,13α,17α)-17-(3-Furyl)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl-acetat [German] [ACD/IUPAC Name]
26241-51-0 [RN]
Acétate de (5α,7α,13α,17α)-17-(3-furyl)-4,4,8-triméthyl-3,16-dioxoandrosta-1,14-dién-7-yle [French] [ACD/IUPAC Name]
Androsta-1,14-diene-3,16-dione, 7-(acetyloxy)-17-(3-furanyl)-4,4,8-trimethyl-, (5α,7α,13α,17α)- [ACD/Index Name]
Azadiradione
(5α,7α,13α,17α)-17-(furan-3-yl)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate
24-Nor-5α,13α,17α-chola-1,14,20,22-tetraene-3,16-dione, 21,23-epoxy-7α-hydroxy-4,4,8-trimethyl-,acetate
MFCD16036226
  • Miscellaneous

    • Chemical Class:

      A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated f rom <ital>Azadirachta indica</ital>, it exhibits antimycobacterial and anti-inflammatory activities. ChEBI CHEBI:67280
      A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated f rom Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67280, CHEBI:67280

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.7±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1233.64
ACD/KOC (pH 5.5): 5678.99
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1233.64
ACD/KOC (pH 7.4): 5678.99
Polar Surface Area: 74 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 375.6±5.0 cm3

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