ChemSpider 2D Image | Methyl (3beta)-3-acetoxy-12-oxooleanan-28-oate | C33H52O5

Methyl (3β)-3-acetoxy-12-oxooleanan-28-oate

  • Molecular FormulaC33H52O5
  • Average mass528.763 Da
  • Monoisotopic mass528.381470 Da
  • ChemSpider ID9310313

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-Acétoxy-12-oxooléanan-28-oate de méthyle [French] [ACD/IUPAC Name]
25493-94-1 [RN]
Methyl (3β)-3-acetoxy-12-oxooleanan-28-oate [ACD/IUPAC Name]
methyl (4aS,6aR,6bR,8aR,10S,12aR,12bR,14aR,14bS)-10-(acetyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-docosahydropicene-4a-carboxylate
Methyl-(3β)-3-acetoxy-12-oxooleanan-28-oat [German] [ACD/IUPAC Name]
Oleanan-28-oic acid, 3-(acetyloxy)-12-oxo-, methyl ester, (3β)- [ACD/Index Name]
methyl 3-O-?-acetyl-11-dehydro-12-oxo-18?-oleanolate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 229.8±28.8 °C
Index of Refraction: 1.528
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.44
ACD/LogD (pH 5.5): 8.12
ACD/BCF (pH 5.5): 871404.69
ACD/KOC (pH 5.5): 621696.81
ACD/LogD (pH 7.4): 8.12
ACD/BCF (pH 7.4): 871404.69
ACD/KOC (pH 7.4): 621696.81
Polar Surface Area: 70 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 481.6±5.0 cm3

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