ChemSpider 2D Image | Butyl (12beta)-12-acetoxy-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oate | C33H46O8

Butyl (12β)-12-acetoxy-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oate

  • Molecular FormulaC33H46O8
  • Average mass570.714 Da
  • Monoisotopic mass570.319275 Da
  • ChemSpider ID78439764

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(12β)-12-Acétoxy-4,4,14-triméthyl-3,7,11,15-tétraoxochol-8-én-24-oate de butyle [French] [ACD/IUPAC Name]
Butyl (12β)-12-acetoxy-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oate [ACD/IUPAC Name]
Butyl-(12β)-12-acetoxy-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oat [German] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 12-(acetyloxy)-4,4,14-trimethyl-3,7,11,15-tetraoxo-, butyl ester, (12β)- [ACD/Index Name]
Butyl lucidenate D2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 269.1±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 150.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2384.96
ACD/KOC (pH 5.5): 9103.25
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2384.96
ACD/KOC (pH 7.4): 9103.25
Polar Surface Area: 121 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 482.3±5.0 cm3

Click to predict properties on the Chemicalize site


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