ChemSpider 2D Image | paraminabeolide F | C28H36O5

paraminabeolide F

  • Molecular FormulaC28H36O5
  • Average mass452.582 Da
  • Monoisotopic mass452.256287 Da
  • ChemSpider ID27025521

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(22S,23R,25R)-18,22:23,26-Diepoxyergosta-1,4-dien-3,18,26-trion [German] [ACD/IUPAC Name]
(22S,23R,25R)-18,22:23,26-Diepoxyergosta-1,4-diene-3,18,26-trione [ACD/IUPAC Name]
(22S,23R,25R)-18,22:23,26-Diépoxyergosta-1,4-diène-3,18,26-trione [French] [ACD/IUPAC Name]
1289420-31-0 [RN]
Ergosta-1,4-diene-18,26-dioic acid, 22,23-dihydroxy-3-oxo-, 18,22:26,23-dilactone, (22S,23R,25R)-
Ergosta-1,4-diene-3,18,26-trione, 18,22:23,26-diepoxy-, (22S,23R,25R)- [ACD/Index Name]
paraminabeolide F
  • Miscellaneous

    • Chemical Class:

      A withanolide that is 18,22:23,26-diepoxyergosta-1,4-diene substituted by oxo groups at positions 3, 18 and 26. It has been isolated from a Formosan soft coral <ital>Paraminabea acronocephala</ital>. ChEBI CHEBI:67565
      A withanolide that is 18,22:23,26-diepoxyergosta-1,4-diene substituted by oxo groups at positions 3, 18 and 26. It has been isolated from a Formosan soft coral Paraminabea acronocephala. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67565, CHEBI:67565

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 281.4±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.74
ACD/KOC (pH 5.5): 2303.68
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.74
ACD/KOC (pH 7.4): 2303.68
Polar Surface Area: 70 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 369.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement