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Search term: ACSZMTJOQYKXFY (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (3beta)-28-Oxo-28-[(3R)-2-oxotetrahydro-3-furanyl]lup-20(29)-en-3-yl acetate | C36H54O5

(3β)-28-Oxo-28-[(3R)-2-oxotetrahydro-3-furanyl]lup-20(29)-en-3-yl acetate

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID24652313
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3β)-28-Oxo-28-[(3R)-2-oxotetrahydro-3-furanyl]lup-20(29)-en-3-yl acetate [ACD/IUPAC Name]
(3β)-28-Oxo-28-[(3R)-2-oxotetrahydro-3-furanyl]lup-20(29)-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-28-oxo-28-[(3R)-2-oxotétrahydro-3-furanyl]lup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-one, 3-(acetyloxy)-28-[(3R)-tetrahydro-2-oxo-3-furanyl]-, (3β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 634.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 260.3±30.2 °C
Index of Refraction: 1.543
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 8.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 690721.56
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 690698.81
Polar Surface Area: 70 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 506.9±5.0 cm3

Click to predict properties on the Chemicalize site






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