ChemSpider 2D Image | (3alpha,22alpha)-3-Hydroxy-22,29-epoxyolean-12-en-29-one | C30H46O3

(3α,22α)-3-Hydroxy-22,29-epoxyolean-12-en-29-one

  • Molecular FormulaC30H46O3
  • Average mass454.684 Da
  • Monoisotopic mass454.344696 Da
  • ChemSpider ID24702571

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,22α)-3-Hydroxy-22,29-epoxyolean-12-en-29-on [German] [ACD/IUPAC Name]
(3α,22α)-3-Hydroxy-22,29-epoxyolean-12-en-29-one [ACD/IUPAC Name]
(3α,22α)-3-Hydroxy-22,29-époxyoléan-12-én-29-one [French] [ACD/IUPAC Name]
Olean-12-en-29-one, 22,29-epoxy-3-hydroxy-, (3α,22α)- [ACD/Index Name]
Abruslactone A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL484855/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 555.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 208.6±22.9 °C
Index of Refraction: 1.563
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 7.27
ACD/BCF (pH 5.5): 197764.05
ACD/KOC (pH 5.5): 215059.27
ACD/LogD (pH 7.4): 7.27
ACD/BCF (pH 7.4): 197764.05
ACD/KOC (pH 7.4): 215059.27
Polar Surface Area: 47 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 405.4±5.0 cm3

Click to predict properties on the Chemicalize site


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