Found 2 results

Search term: MF = 'C_{32}H_{49}ClO_{4}'
ChemSpider 2D Image | (3beta,12alpha,17alpha)-12-Chloro-28-oxo-13,28-epoxyoleanan-3-yl acetate | C32H49ClO4

(3β,12α,17α)-12-Chloro-28-oxo-13,28-epoxyoleanan-3-yl acetate

  • Molecular FormulaC32H49ClO4
  • Average mass533.182 Da
  • Monoisotopic mass532.331909 Da
  • ChemSpider ID17332263

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,12α,17α)-12-Chlor-28-oxo-13,28-epoxyoleanan-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,12α,17α)-12-Chloro-28-oxo-13,28-epoxyoleanan-3-yl acetate [ACD/IUPAC Name]
Acétate de (3β,12α,17α)-12-chloro-28-oxo-13,28-époxyoléanan-3-yle [French] [ACD/IUPAC Name]
Oleanan-28-one, 3-(acetyloxy)-12-chloro-13,28-epoxy-, (3β,12α,17α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 164.2±29.1 °C
Index of Refraction: 1.547
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 8.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 724970.88
ACD/LogD (pH 7.4): 8.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 724970.88
Polar Surface Area: 53 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 461.6±5.0 cm3

Click to predict properties on the Chemicalize site


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