ChemSpider 2D Image | (22beta)-22-{[(2Z)-2-Methyl-2-butenoyl]oxy}olean-12-en-28-oic acid | C35H54O4

(22β)-22-{[(2Z)-2-Methyl-2-butenoyl]oxy}olean-12-en-28-oic acid

  • Molecular FormulaC35H54O4
  • Average mass538.801 Da
  • Monoisotopic mass538.402222 Da
  • ChemSpider ID24823526

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(22β)-22-{[(2Z)-2-Methyl-2-butenoyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(22β)-22-{[(2Z)-2-Methyl-2-butenoyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (22β)-22-{[(2Z)-2-méthyl-2-butenoyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-, (22β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.7±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 177.8±21.7 °C
Index of Refraction: 1.547
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 12.19
ACD/LogD (pH 5.5): 9.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1128879.50
ACD/LogD (pH 7.4): 8.00
ACD/BCF (pH 7.4): 124855.97
ACD/KOC (pH 7.4): 19687.60
Polar Surface Area: 64 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 494.0±5.0 cm3

Click to predict properties on the Chemicalize site


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