ChemSpider 2D Image | Ethyl (5alpha,7beta)-7-hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oate | C29H42O6

Ethyl (5α,7β)-7-hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oate

  • Molecular FormulaC29H42O6
  • Average mass486.640 Da
  • Monoisotopic mass486.298126 Da
  • ChemSpider ID29414874

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,7β)-7-Hydroxy-4,4,14-triméthyl-3,11,15-trioxochol-8-én-24-oate d'éthyle [French] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 7-hydroxy-4,4,14-trimethyl-3,11,15-trioxo-, ethyl ester, (5α,7β)- [ACD/Index Name]
Ethyl (5α,7β)-7-hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oate [ACD/IUPAC Name]
Ethyl-(5α,7β)-7-hydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oat [German] [ACD/IUPAC Name]
ethyl lucidenate 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: 607.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 192.7±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 492.04
ACD/KOC (pH 5.5): 2941.29
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 492.04
ACD/KOC (pH 7.4): 2941.29
Polar Surface Area: 98 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 415.7±5.0 cm3

Click to predict properties on the Chemicalize site


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