ChemSpider 2D Image | Propyl (3beta,8alpha,9beta)-3-acetoxy-11-oxoolean-12-en-29-oate | C35H54O5

Propyl (3β,8α,9β)-3-acetoxy-11-oxoolean-12-en-29-oate

  • Molecular FormulaC35H54O5
  • Average mass554.800 Da
  • Monoisotopic mass554.397095 Da
  • ChemSpider ID10082691

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,8α,9β)-3-Acétoxy-11-oxooléan-12-én-29-oate de propyle [French] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 3-(acetyloxy)-11-oxo-, propyl ester, (3β,8α,9β)- [ACD/Index Name]
Propyl (3β,8α,9β)-3-acetoxy-11-oxoolean-12-en-29-oate [ACD/IUPAC Name]
Propyl-(3β,8α,9β)-3-acetoxy-11-oxoolean-12-en-29-oat [German] [ACD/IUPAC Name]

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

ZINC05222309 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 592.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 242.6±30.2 °C
Index of Refraction: 1.534
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.96
ACD/LogD (pH 5.5): 8.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1195120.38
ACD/LogD (pH 7.4): 8.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1195120.38
Polar Surface Area: 70 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 506.3±5.0 cm3

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