ChemSpider 2D Image | 21,29-Epoxylup-20(30)-ene-3,29-dione | C30H44O3

21,29-Epoxylup-20(30)-ene-3,29-dione

  • Molecular FormulaC30H44O3
  • Average mass452.669 Da
  • Monoisotopic mass452.329041 Da
  • ChemSpider ID88298104

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

21,29-Epoxylup-20(30)-en-3,29-dion [German] [ACD/IUPAC Name]
21,29-Epoxylup-20(30)-ene-3,29-dione [ACD/IUPAC Name]
21,29-Époxylup-20(30)-ène-3,29-dione [French] [ACD/IUPAC Name]
Lup-20(30)-ene-3,29-dione, 21,29-epoxy- [ACD/Index Name]
138913-61-8 [RN]
ochraceolide A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 555.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 234.3±22.7 °C
Index of Refraction: 1.552
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 169742.72
ACD/KOC (pH 5.5): 192779.52
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 169742.72
ACD/KOC (pH 7.4): 192779.52
Polar Surface Area: 43 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 407.2±5.0 cm3

Click to predict properties on the Chemicalize site


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