ChemSpider 2D Image | 29-nor-penasterone | C29H44O3

29-nor-penasterone

  • Molecular FormulaC29H44O3
  • Average mass440.658 Da
  • Monoisotopic mass440.329041 Da
  • ChemSpider ID29784951

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4α,5α)-4-Methyl-3-oxocholesta-8,24-dien-14-carbonsäure [German] [ACD/IUPAC Name]
(4α,5α)-4-Methyl-3-oxocholesta-8,24-diene-14-carboxylic acid [ACD/IUPAC Name]
29-nor-penasterone
Acide (4α,5α)-4-méthyl-3-oxocholesta-8,24-diène-14-carboxylique [French] [ACD/IUPAC Name]
Cholesta-8,24-diene-14-carboxylic acid, 4-methyl-3-oxo-, (4α,5α)- [ACD/Index Name]
29-norpenasterone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 303.4±26.6 °C
Index of Refraction: 1.543
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 22258.63
ACD/KOC (pH 5.5): 23766.21
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 349.74
ACD/KOC (pH 7.4): 373.43
Polar Surface Area: 54 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 408.9±5.0 cm3

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