ChemSpider 2D Image | (3beta,5alpha,7beta,14xi)-3,7-Dihydroxy-4,4,14-trimethyl-20,24-epoxychol-8-ene-11,15,24-trione | C27H38O6

(3β,5α,7β,14ξ)-3,7-Dihydroxy-4,4,14-trimethyl-20,24-epoxychol-8-ene-11,15,24-trione

  • Molecular FormulaC27H38O6
  • Average mass458.587 Da
  • Monoisotopic mass458.266846 Da
  • ChemSpider ID101935841

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,5α,7β,14ξ)-3,7-Dihydroxy-4,4,14-trimethyl-20,24-epoxychol-8-en-11,15,24-trion [German] [ACD/IUPAC Name]
(3β,5α,7β,14ξ)-3,7-Dihydroxy-4,4,14-trimethyl-20,24-epoxychol-8-ene-11,15,24-trione [ACD/IUPAC Name]
(3β,5α,7β,14ξ)-3,7-Dihydroxy-4,4,14-triméthyl-20,24-époxychol-8-ène-11,15,24-trione [French] [ACD/IUPAC Name]
Chol-8-ene-11,15,24-trione, 20,24-epoxy-3,7-dihydroxy-4,4,14-trimethyl-, (3β,5α,7β,14ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 212.4±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.74
ACD/KOC (pH 5.5): 610.81
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.74
ACD/KOC (pH 7.4): 610.81
Polar Surface Area: 101 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 365.6±5.0 cm3

Click to predict properties on the Chemicalize site


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