ChemSpider 2D Image | paraminabeolide B | C30H42O5

paraminabeolide B

  • Molecular FormulaC30H42O5
  • Average mass482.651 Da
  • Monoisotopic mass482.303223 Da
  • ChemSpider ID26398242

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(22R,25S)-3,26-Dioxo-22,26-epoxyergosta-1,4-dien-18-yl acetate [ACD/IUPAC Name]
(22R,25S)-3,26-Dioxo-22,26-epoxyergosta-1,4-dien-18-yl-acetat [German] [ACD/IUPAC Name]
1289420-22-9 [RN]
Acétate de (22R,25S)-3,26-dioxo-22,26-époxyergosta-1,4-dién-18-yle [French] [ACD/IUPAC Name]
Ergosta-1,4-diene-3,26-dione, 18-(acetyloxy)-22,26-epoxy-, (22R,25S)- [ACD/Index Name]
paraminabeolide B
  • Miscellaneous

    • Chemical Class:

      A withanolide that is 22,26-epoxyergosta-1,4-diene substituted by an acetyloxy group at position 18 and oxo groups at positions 3 and 26. Isolated from a Formosan soft coral <ital>Paraminabea acronoce phala</ital>, it has been found to inhibit the accumulation of the pro-inflammatory iNOS protein. ChEBI CHEBI:67561
      A withanolide that is 22,26-epoxyergosta-1,4-diene substituted by an acetyloxy group at position 18 and oxo groups at positions 3 and 26. Isolated from a Formosan soft coral Paraminabea acronoce; phal a, 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:67561
      A withanolide that is 22,26-epoxyergosta-1,4-diene substituted by an acetyloxy group at position 18 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:67561

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

Density: 1.1±0.1 g/cm3
Boiling Point: 610.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 257.3±24.0 °C
Index of Refraction: 1.551
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5224.79
ACD/KOC (pH 5.5): 15958.27
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5224.79
ACD/KOC (pH 7.4): 15958.27
Polar Surface Area: 70 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 420.1±5.0 cm3

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