ChemSpider 2D Image | 3-Hydroxyergosta-8,24(28)-dien-7-one | C28H44O2

3-Hydroxyergosta-8,24(28)-dien-7-one

  • Molecular FormulaC28H44O2
  • Average mass412.648 Da
  • Monoisotopic mass412.334137 Da
  • ChemSpider ID26377788

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,5α)-3-Hydroxyergosta-8,24(28)-dien-7-on [German] [ACD/IUPAC Name]
(3β,5α)-3-Hydroxyergosta-8,24(28)-dien-7-one [ACD/IUPAC Name]
(3β,5α)-3-Hydroxyergosta-8,24(28)-dién-7-one [French] [ACD/IUPAC Name]
1175710-04-9 [RN]
3-Hydroxyergosta-8,24(28)-dien-7-one
3β-hydroxyergosta-8,24(28)-dien-7-one
Ergosta-8,24(28)-dien-7-one, 3-hydroxy-, (3β,5α)- [ACD/Index Name]
3β-hydroxyergosta-8,24(28)-dien-7-one
  • Miscellaneous

    • Chemical Class:

      An ergostanoid that is (5<stereo>alpha</stereo>)-ergosta-8,24(28)-diene substituted by a <stereo>beta</stereo>-hydroxy group at position 3 and an oxo group at position 7. It has been isolated from <i tal>Aspergillus ochraceus</ital>. ChEBI CHEBI:70334
      An ergostanoid that is (5alpha)-ergosta-8,24(28)-diene substituted by a beta-hydroxy group at position 3 and an oxo group at position 7. It has been isolated from Aspergillus ochraceus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70334, CHEBI:70334

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

Density: 1.0±0.1 g/cm3
Boiling Point: 525.2±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 221.8±22.4 °C
Index of Refraction: 1.534
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 179971.89
ACD/KOC (pH 5.5): 201025.78
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 179971.89
ACD/KOC (pH 7.4): 201025.78
Polar Surface Area: 37 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 398.8±5.0 cm3

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