ChemSpider 2D Image | (2alpha,18beta)-2,28-Dihydroxylup-20(29)-en-3-one | C30H48O3

(2α,18β)-2,28-Dihydroxylup-20(29)-en-3-one

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID23339467

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,18β)-2,28-Dihydroxylup-20(29)-en-3-on [German] [ACD/IUPAC Name]
(2α,18β)-2,28-Dihydroxylup-20(29)-en-3-one [ACD/IUPAC Name]
(2α,18β)-2,28-Dihydroxylup-20(29)-én-3-one [French] [ACD/IUPAC Name]
Lup-20(29)-en-3-one, 2,28-dihydroxy-, (2α,18β)- [ACD/Index Name]
2α,28-dihydroxy-3-oxo-20-lupene
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463910/
maytefolin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 301.1±19.7 °C
Index of Refraction: 1.531
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 58033.15
ACD/KOC (pH 5.5): 89417.14
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 58033.03
ACD/KOC (pH 7.4): 89416.95
Polar Surface Area: 58 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 431.6±3.0 cm3

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