ChemSpider 2D Image | (5beta,7alpha,8alpha,9beta,10alpha,16beta)-7,16,17-Trihydroxykauran-6-one | C20H32O4

(5β,7α,8α,9β,10α,16β)-7,16,17-Trihydroxykauran-6-one

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID28285857

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5β,7α,8α,9β,10α,16β)-7,16,17-Trihydroxykauran-6-on [German] [ACD/IUPAC Name]
(5β,7α,8α,9β,10α,16β)-7,16,17-Trihydroxykauran-6-one [ACD/IUPAC Name]
(5β,7α,8α,9β,10α,16β)-7,16,17-Trihydroxykauran-6-one [French] [ACD/IUPAC Name]
BROUSSONETONE A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 270.8±25.2 °C
Index of Refraction: 1.576
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.43
ACD/KOC (pH 5.5): 474.13
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.43
ACD/KOC (pH 7.4): 474.13
Polar Surface Area: 78 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 275.5±5.0 cm3

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