ChemSpider 2D Image | (22E,24R)-ergosta-7,22-diene-3,6-dione | C28H42O2

(22E,24R)-ergosta-7,22-diene-3,6-dione

  • Molecular FormulaC28H42O2
  • Average mass410.632 Da
  • Monoisotopic mass410.318481 Da
  • ChemSpider ID30786466
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(22E,24R)-ergosta-7,22-diene-3,6-dione
(5α,22E)-Ergosta-7,22-dien-3,6-dion [German] [ACD/IUPAC Name]
(5α,22E)-Ergosta-7,22-diene-3,6-dione [ACD/IUPAC Name]
(5α,22E)-Ergosta-7,22-diène-3,6-dione [French] [ACD/IUPAC Name]
Ergosta-7,22-diene-3,6-dione, (5α,22E)- [ACD/Index Name]
(22E)-ergosta-7,22-diene-3,6-dione
cyathisterone
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70016
  • Miscellaneous
    • Chemical Class:

      A 3-oxo <greek>Delta</greek><smallsup>7</smallsup>-steroid that is (22<stereo>E</stereo>)-ergosta-7,22-diene substituted by oxo groups at positions 3 and 6. It has been isolated from <ital>Penicillium commune</ital>. ChEBI CHEBI:70016
      A 3-oxo Delta7-steroid that is (22E)-ergosta-7,22-diene substituted by oxo groups at positions 3 and 6. It has been isolated from Penicillium; commune. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70016

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 520.9±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 192.0±26.8 °C
Index of Refraction: 1.533
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22309.20
ACD/KOC (pH 5.5): 45105.61
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22309.20
ACD/KOC (pH 7.4): 45105.61
Polar Surface Area: 34 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 39.2±5.0 dyne/cm
Molar Volume: 397.3±5.0 cm3

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