ChemSpider 2D Image | Butyl (3beta,5alpha,7beta)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oate | C31H48O6

Butyl (3β,5α,7β)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oate

  • Molecular FormulaC31H48O6
  • Average mass516.709 Da
  • Monoisotopic mass516.345093 Da
  • ChemSpider ID24663004

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,7β)-3,7-Dihydroxy-4,4,14-triméthyl-11,15-dioxochol-8-én-24-oate de butyle [French] [ACD/IUPAC Name]
Butyl (3β,5α,7β)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oate [ACD/IUPAC Name]
Butyl-(3β,5α,7β)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oat [German] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxo-, butyl ester, (3β,5α,7β)- [ACD/Index Name]
Butyl lucidenate N

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 195.0±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2298.56
ACD/KOC (pH 5.5): 8865.97
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2298.56
ACD/KOC (pH 7.4): 8865.97
Polar Surface Area: 101 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 449.0±5.0 cm3

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