ChemSpider 2D Image | Wilforlide B | C30H44O3

Wilforlide B

  • Molecular FormulaC30H44O3
  • Average mass452.669 Da
  • Monoisotopic mass452.329041 Da
  • ChemSpider ID52563520

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(22α)-22,29-Epoxyolean-12-en-3,29-dion [German] [ACD/IUPAC Name]
(22α)-22,29-Epoxyolean-12-ene-3,29-dione [ACD/IUPAC Name]
(22α)-22,29-Époxyoléan-12-ène-3,29-dione [French] [ACD/IUPAC Name]
84104-70-1 [RN]
Olean-12-ene-3,29-dione, 22,29-epoxy-, (22α)- [ACD/Index Name]
Wilforlide B
(1S,2R,5S,6R,9R,14R,15R,19S,21S)-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-ene-11,22-dione
Welforlide b

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 233.4±30.2 °C
Index of Refraction: 1.558
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85146.86
ACD/KOC (pH 5.5): 117650.65
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85146.86
ACD/KOC (pH 7.4): 117650.65
Polar Surface Area: 43 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 404.4±5.0 cm3

Click to predict properties on the Chemicalize site


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