ChemSpider 2D Image | (16beta)-16-Hydroxylup-20(29)-en-3-one | C30H48O2

(16β)-16-Hydroxylup-20(29)-en-3-one

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID76795357

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(16β)-16-Hydroxylup-20(29)-en-3-on [German] [ACD/IUPAC Name]
(16β)-16-Hydroxylup-20(29)-en-3-one [ACD/IUPAC Name]
(16β)-16-Hydroxylup-20(29)-én-3-one [French] [ACD/IUPAC Name]
Lup-20(29)-en-3-one, 16-hydroxy-, (16β)- [ACD/Index Name]
(1R,3aS,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-4-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
16-Hydroxylup-20(29)-en-3-one [ACD/IUPAC Name]
43043-12-5 [RN]
Resinone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 516.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 218.2±22.7 °C
Index of Refraction: 1.521
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 7.45
ACD/BCF (pH 5.5): 271964.44
ACD/KOC (pH 5.5): 270145.78
ACD/LogD (pH 7.4): 7.45
ACD/BCF (pH 7.4): 271964.44
ACD/KOC (pH 7.4): 270145.78
Polar Surface Area: 37 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

Click to predict properties on the Chemicalize site


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