ChemSpider 2D Image | Methyl (22beta)-22-{[(2Z)-2-methyl-2-butenoyl]oxy}-3-oxoolean-12-en-28-oate | C36H54O5

Methyl (22β)-22-{[(2Z)-2-methyl-2-butenoyl]oxy}-3-oxoolean-12-en-28-oate

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID10217355

  • 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-Méthyl-2-butenoyl]oxy}-3-oxooléan-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (22β)-22-{[(2Z)-2-methyl-2-butenoyl]oxy}-3-oxoolean-12-en-28-oate [ACD/IUPAC Name]
methyl (22β)-22-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-oxoolean-12-en-28-oate
Methyl-(22β)-22-{[(2Z)-2-methyl-2-butenoyl]oxy}-3-oxoolean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxo-, methyl ester, (22β)- [ACD/Index Name]
467-81-2 [RN]
Lantadene 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: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 245.3±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.03
ACD/LogD (pH 5.5): 9.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3595651.25
ACD/LogD (pH 7.4): 9.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3595651.25
Polar Surface Area: 70 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 515.5±5.0 cm3

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