ChemSpider 2D Image | (14xi,17xi,20xi,22E,24S)-Stigmasta-4,22,25-trien-3-one | C29H44O

(14ξ,17ξ,20ξ,22E,24S)-Stigmasta-4,22,25-trien-3-one

  • Molecular FormulaC29H44O
  • Average mass408.659 Da
  • Monoisotopic mass408.339203 Da
  • ChemSpider ID28285766

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(14ξ,17ξ,20ξ,22E,24S)-Stigmasta-4,22,25-trien-3-on [German] [ACD/IUPAC Name]
(14ξ,17ξ,20ξ,22E,24S)-Stigmasta-4,22,25-trien-3-one [ACD/IUPAC Name]
(14ξ,17ξ,20ξ,22E,24S)-Stigmasta-4,22,25-trién-3-one [French] [ACD/IUPAC Name]
Stigmasta-4,22,25-trien-3-one, (14ξ,17ξ,20ξ,22E,24S)- [ACD/Index Name]
(22E, 24S)-stigmasta-4, 22, 25-trien-3-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 507.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 262.7±12.6 °C
Index of Refraction: 1.531
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.42
ACD/LogD (pH 5.5): 7.76
ACD/BCF (pH 5.5): 469327.38
ACD/KOC (pH 5.5): 399221.94
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 469327.38
ACD/KOC (pH 7.4): 399221.94
Polar Surface Area: 17 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 411.1±5.0 cm3

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