ChemSpider 2D Image | 3beta,11alpha-dihydroxyergosta-8,24(28)-dien-7-one | C28H44O3

3β,11α-dihydroxyergosta-8,24(28)-dien-7-one

  • Molecular FormulaC28H44O3
  • Average mass428.647 Da
  • Monoisotopic mass428.329041 Da
  • ChemSpider ID26380565

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,11α)-3,11-Dihydroxyergosta-8,24(28)-dien-7-on [German] [ACD/IUPAC Name]
(3β,5α,11α)-3,11-Dihydroxyergosta-8,24(28)-dien-7-one [ACD/IUPAC Name]
(3β,5α,11α)-3,11-Dihydroxyergosta-8,24(28)-dién-7-one [French] [ACD/IUPAC Name]
1256843-32-9 [RN]
3β,11α-dihydroxyergosta-8,24(28)-dien-7-one
Ergosta-8,24(28)-dien-7-one, 3,11-dihydroxy-, (3β,5α,11α)- [ACD/Index Name]
3β,11α-dihydroxyergosta-8,24(28)-dien-7-one
  • Miscellaneous

    • Chemical Class:

      An ergostanoid that is (5<stereo>alpha</stereo>)-ergosta-8,24(28)-diene substituted by hydroxy groups a positions 3 and 11 and an oxo group at position 7 (the 3<stereo>beta</stereo>,11<stereo>alpha</s tereo> stereoisomer). It has been isolated from <ital>Aspergillus ochraceus</ital>. ChEBI CHEBI:70333
      An ergostanoid that is (5alpha)-ergosta-8,24(28)-diene substituted by hydroxy groups a positions 3 and 11 and an oxo group at position 7 (the 3beta,11alpha stereoisomer). It has been isolated from Asp ergillus ochraceus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70333, CHEBI:70333

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

Density: 1.1±0.1 g/cm3
Boiling Point: 560.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 306.8±26.6 °C
Index of Refraction: 1.546
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 11916.53
ACD/KOC (pH 5.5): 28793.65
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 11916.53
ACD/KOC (pH 7.4): 28793.65
Polar Surface Area: 58 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 396.7±5.0 cm3

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