ChemSpider 2D Image | paraminabeolide A | C28H36O4

paraminabeolide A

  • Molecular FormulaC28H36O4
  • Average mass436.583 Da
  • Monoisotopic mass436.261353 Da
  • ChemSpider ID26399343

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
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(22R)-3,26-Dioxo-22,26-epoxyergosta-1,4,24-trien-18-al [German] [ACD/IUPAC Name]
(22R)-3,26-Dioxo-22,26-epoxyergosta-1,4,24-trien-18-al [ACD/IUPAC Name]
(22R)-3,26-Dioxo-22,26-époxyergosta-1,4,24-trién-18-al [French] [ACD/IUPAC Name]
Ergosta-1,4,24-trien-18-al, 22,26-epoxy-3,26-dioxo-, (22R)- [ACD/Index Name]
paraminabeolide A
3,18-dioxo-witha-1,4,24-trienolide
  • Miscellaneous

    • Chemical Class:

      A withanolide that is 22,26-epoxyergosta-1,4,24-triene-18-al substituted by oxo groups at positions 3 and 26. Isolated from a Formosan soft coral, <ital>Paraminabea acronocephala</ital>, it exhibits c ytotoxic activity. ChEBI CHEBI:67560
      A withanolide that is 22,26-epoxyergosta-1,4,24-triene-18-al substituted by oxo groups at positions 3 and 26. Isolated from a Formosan soft coral, Paraminabea acronocephala, it exhibits c; ytotoxic ac tivity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67560
      A withanolide that is 22,26-epoxyergosta-1,4,24-triene-18-al substituted by oxo groups at positions 3 and 26. Isolated from a Formosan soft coral, Paraminabea acronocephala, it exhibits cytotoxic acti vity. ChEBI CHEBI:67560

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

Density: 1.2±0.1 g/cm3
Boiling Point: 607.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 259.3±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2249.68
ACD/KOC (pH 5.5): 8730.61
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2249.68
ACD/KOC (pH 7.4): 8730.61
Polar Surface Area: 60 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 373.9±5.0 cm3

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