ChemSpider 2D Image | 5α,6α-epoxy-(22E)-ergosta-8,22-diene-3β,7α-diol | C28H44O3

5α,6α-epoxy-(22E)-ergosta-8,22-diene-3β,7α-diol

  • Molecular FormulaC28H44O3
  • Average mass428.647 Da
  • Monoisotopic mass428.329041 Da
  • ChemSpider ID29319930

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6α,7α,22E)-5,6-Epoxyergosta-8,22-dien-3,7-diol [German] [ACD/IUPAC Name]
(3β,5α,6α,7α,22E)-5,6-Epoxyergosta-8,22-diene-3,7-diol [ACD/IUPAC Name]
(3β,5α,6α,7α,22E)-5,6-Époxyergosta-8,22-diène-3,7-diol [French] [ACD/IUPAC Name]
16250-61-6 [RN]
5α,6α-epoxy-(22E)-ergosta-8,22-diene-3β,7α-diol
Ergosta-8,22-diene-3,7-diol, 5,6-epoxy-, (3β,5α,6α,7α,22E)- [ACD/Index Name]
(22E)-5α,6α-epoxyergosta-8,22-dien-3β,7α-diol
5??,6??-epoxy-(22e)-ergosta-8,22-dien-3??,7??-diol
  • Miscellaneous

    • Chemical Class:

      An ergostanoid that is (22<stereo>E</stereo>)-ergosta-7,22-diene substituted by hydroxy groups at positions 3 and 7 and an epoxy group across positions 5 and 6 (the 3<stereo>beta</stereo>,5<stereo>alp ha</stereo>,6<stereo>alpha</stereo>,7<stereo>alpha</stereo> stereoisomer). It has been isolated from <ital>Aspergillus ochraceus</ital> as well as <ital>Penicillium commune</ital>. ChEBI CHEBI:70339
      An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3 and 7 and an epoxy group across positions 5 and 6 (the 3beta,5alp; ha,6alpha,7alpha stereoisomer). It has b een isolated from Aspergillus ochraceus as well as Penicillium commune. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70339
      An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3 and 7 and an epoxy group across positions 5 and 6 (the 3beta,5alpha,6alpha,7alpha stereoisomer). It has bee n isolated from Aspergillus ochraceus as well as Penicillium commune. ChEBI CHEBI:70339

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 288.5±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49291.27
ACD/KOC (pH 5.5): 79554.86
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49291.27
ACD/KOC (pH 7.4): 79554.86
Polar Surface Area: 53 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 386.3±5.0 cm3

Click to predict properties on the Chemicalize site


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