ChemSpider 2D Image | (5alpha)-4,4,14-Trimethyl-20,24-epoxychol-8-ene-3,7,11,15,24-pentone | C27H34O6

(5α)-4,4,14-Trimethyl-20,24-epoxychol-8-ene-3,7,11,15,24-pentone

  • Molecular FormulaC27H34O6
  • Average mass454.555 Da
  • Monoisotopic mass454.235535 Da
  • ChemSpider ID59003477

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5α)-4,4,14-Trimethyl-20,24-epoxychol-8-en-3,7,11,15,24-penton [German] [ACD/IUPAC Name]
(5α)-4,4,14-Trimethyl-20,24-epoxychol-8-ene-3,7,11,15,24-pentone [ACD/IUPAC Name]
(5α)-4,4,14-Triméthyl-20,24-époxychol-8-ène-3,7,11,15,24-pentone [French] [ACD/IUPAC Name]
Chol-8-ene-3,7,11,15,24-pentone, 20,24-epoxy-4,4,14-trimethyl-, (5α)- [ACD/Index Name]
Ganoderlactone B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 267.2±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.55
ACD/KOC (pH 5.5): 552.26
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.55
ACD/KOC (pH 7.4): 552.26
Polar Surface Area: 95 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 363.5±5.0 cm3

Click to predict properties on the Chemicalize site


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