ChemSpider 2D Image | minabeolide 2 | C30H40O5

minabeolide 2

  • Molecular FormulaC30H40O5
  • Average mass480.636 Da
  • Monoisotopic mass480.287567 Da
  • ChemSpider ID26334716

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(22R)-3,26-Dioxo-22,26-epoxyergosta-1,4,24-trien-18-yl acetate [ACD/IUPAC Name]
(22R)-3,26-Dioxo-22,26-epoxyergosta-1,4,24-trien-18-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (22R)-3,26-dioxo-22,26-époxyergosta-1,4,24-trién-18-yle [French] [ACD/IUPAC Name]
Ergosta-1,4,24-triene-3,26-dione, 18-(acetyloxy)-22,26-epoxy-, (22R)- [ACD/Index Name]
minabeolide 2
3-oxo-18-acetoxywitha-1,4,24-trienolide
minabeolide-2
  • Miscellaneous

    • Chemical Class:

      A withanolide that is (22<stereo>R</stereo>)-22,26-epoxyergosta-1,4,24-triene substituted by oxo groups at positions 3 and 26 and an acetoxy group at position 18. Isolated from <ital>Paraminabea acro nocephala</ital>, it exhibits anti-inflammatory activity. ChEBI CHEBI:67567
      A withanolide that is (22R)-22,26-epoxyergosta-1,4,24-triene substituted by oxo groups at positions 3 and 26 and an acetoxy group at position 18. Isolated from Paraminabea acro; nocephala, it exhibit s anti-inflammatory activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67567
      A withanolide that is (22R)-22,26-epoxyergosta-1,4,24-triene substituted by oxo groups at positions 3 and 26 and an acetoxy group at position 18. Isolated from Paraminabea acronocephala, it exhibits anti-inflammatory activity. ChEBI CHEBI:67567

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 261.6±26.8 °C
Index of Refraction: 1.562
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7705.38
ACD/KOC (pH 5.5): 21074.52
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7705.38
ACD/KOC (pH 7.4): 21074.52
Polar Surface Area: 70 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 411.9±5.0 cm3

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