ChemSpider 2D Image | (6beta,13alpha,16beta)-6,16-Dihydroxylup-20(29)-en-3-one | C30H48O3

(6β,13α,16β)-6,16-Dihydroxylup-20(29)-en-3-one

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID23326692

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(6β,13α,16β)-6,16-Dihydroxylup-20(29)-en-3-on [German] [ACD/IUPAC Name]
(6β,13α,16β)-6,16-Dihydroxylup-20(29)-en-3-one [ACD/IUPAC Name]
(6β,13α,16β)-6,16-Dihydroxylup-20(29)-én-3-one [French] [ACD/IUPAC Name]
Lup-20(29)-en-3-one, 6,16-dihydroxy-, (6β,13α,16β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL513709/
Resinone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 298.5±26.6 °C
Index of Refraction: 1.533
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29940.35
ACD/KOC (pH 5.5): 55678.74
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29940.35
ACD/KOC (pH 7.4): 55678.74
Polar Surface Area: 58 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 430.0±3.0 cm3

Click to predict properties on the Chemicalize site


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