ChemSpider 2D Image | (12beta,16beta)-20-Hydroxy-3-oxocholest-4-ene-12,16-diyl diacetate | C31H48O6

(12β,16β)-20-Hydroxy-3-oxocholest-4-ene-12,16-diyl diacetate

  • Molecular FormulaC31H48O6
  • Average mass516.709 Da
  • Monoisotopic mass516.345093 Da
  • ChemSpider ID9246508

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(12β,16β)-20-Hydroxy-3-oxocholest-4-en-12,16-diyl-diacetat [German] [ACD/IUPAC Name]
(12β,16β)-20-Hydroxy-3-oxocholest-4-ene-12,16-diyl diacetate [ACD/IUPAC Name]
Cholest-4-en-3-one, 12,16-bis(acetyloxy)-20-hydroxy-, (12β,16β)- [ACD/Index Name]
Diacétate de (12β,16β)-20-hydroxy-3-oxocholest-4-ène-12,16-diyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518223/
nanjiol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.2±6.0 kJ/mol
Flash Point: 183.0±23.6 °C
Index of Refraction: 1.533
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5872.45
ACD/KOC (pH 5.5): 17350.53
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5872.45
ACD/KOC (pH 7.4): 17350.53
Polar Surface Area: 90 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 458.6±5.0 cm3

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