ChemSpider 2D Image | (4alpha,22R)-22-Hydroxy-4,14-dimethylergosta-7,9(11),24(28)-trien-3-one | C30H46O2

(4α,22R)-22-Hydroxy-4,14-dimethylergosta-7,9(11),24(28)-trien-3-one

  • Molecular FormulaC30H46O2
  • Average mass438.685 Da
  • Monoisotopic mass438.349792 Da
  • ChemSpider ID28287135

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4α,22R)-22-Hydroxy-4,14-dimethylergosta-7,9(11),24(28)-trien-3-on [German] [ACD/IUPAC Name]
(4α,22R)-22-Hydroxy-4,14-dimethylergosta-7,9(11),24(28)-trien-3-one [ACD/IUPAC Name]
(4α,22R)-22-Hydroxy-4,14-diméthylergosta-7,9(11),24(28)-trién-3-one [French] [ACD/IUPAC Name]
Ergosta-7,9(11),24(28)-trien-3-one, 22-hydroxy-4,14-dimethyl-, (4α,22R)- [ACD/Index Name]
igniaren A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 552.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 232.3±22.7 °C
Index of Refraction: 1.540
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 152164.38
ACD/KOC (pH 5.5): 178269.36
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 152164.38
ACD/KOC (pH 7.4): 178269.36
Polar Surface Area: 37 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 424.8±5.0 cm3

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