ChemSpider 2D Image | paraminabeolide D | C28H40O4

paraminabeolide D

  • Molecular FormulaC28H40O4
  • Average mass440.615 Da
  • Monoisotopic mass440.292664 Da
  • ChemSpider ID26341355

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(22S,23R,24S,25R)-22-Hydroxy-23,26-epoxyergosta-1,4-dien-3,26-dion [German] [ACD/IUPAC Name]
(22S,23R,24S,25R)-22-Hydroxy-23,26-epoxyergosta-1,4-diene-3,26-dione [ACD/IUPAC Name]
(22S,23R,24S,25R)-22-Hydroxy-23,26-époxyergosta-1,4-diène-3,26-dione [French] [ACD/IUPAC Name]
1289420-25-2 [RN]
Ergosta-1,4-dien-26-oic acid, 22,23-dihydroxy-3-oxo-, γ-lactone, (22S,23R,24S,25R)-
Ergosta-1,4-diene-3,26-dione, 23,26-epoxy-22-hydroxy-, (22S,23R,24S,25R)- [ACD/Index Name]
paraminabeolide D
  • Miscellaneous

    • Chemical Class:

      A withanolide that is 23,26-epoxyergosta-1,4-diene substituted by a hydroxy group at position 22 and oxo groups at positions 3 and 26. Isolated from a Formosan soft coral <ital>Paraminabea acronocepha la</ital>, it has been found to inhibit the accumulation of the pro-inflammatory iNOS protein. ChEBI CHEBI:67563
      A withanolide that is 23,26-epoxyergosta-1,4-diene substituted by a hydroxy group at position 22 and oxo groups at positions 3 and 26. Isolated from a Formosan soft coral Paraminabea acronocepha; la, it has been found to inhibit the accumulation of the pro-inflammatory iNOS protein. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67563
      A withanolide that is 23,26-epoxyergosta-1,4-diene substituted by a hydroxy group at position 22 and oxo groups at positions 3 and 26. Isolated from a Formosan soft coral Paraminabea acronocephala, it has been found to inhibit the accumulation of the pro-inflammatory iNOS protein. ChEBI CHEBI:67563

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 195.9±17.5 °C
Index of Refraction: 1.563
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1185.48
ACD/KOC (pH 5.5): 5519.42
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1185.48
ACD/KOC (pH 7.4): 5519.42
Polar Surface Area: 64 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 383.0±5.0 cm3

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