ChemSpider 2D Image | Butyl (3beta,12beta)-12-acetoxy-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxochol-8-en-24-oate | C33H48O8

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

  • Molecular FormulaC33H48O8
  • Average mass572.729 Da
  • Monoisotopic mass572.334900 Da
  • ChemSpider ID78439717

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,12β)-12-Acétoxy-3-hydroxy-4,4,14-triméthyl-7,11,15-trioxochol-8-én-24-oate de butyle [French] [ACD/IUPAC Name]
Butyl (3β,12β)-12-acetoxy-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxochol-8-en-24-oate [ACD/IUPAC Name]
Butyl-(3β,12β)-12-acetoxy-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxochol-8-en-24-oat [German] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 12-(acetyloxy)-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxo-, butyl ester, (3β,12β)- [ACD/Index Name]
Butyl lucidenate E2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±6.0 kJ/mol
Flash Point: 198.9±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6972.04
ACD/KOC (pH 5.5): 19618.59
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6972.04
ACD/KOC (pH 7.4): 19618.59
Polar Surface Area: 124 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 483.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement