ChemSpider 2D Image | (5alpha,7alpha,13alpha,17alpha,20S,23R)-23,24,25-Trihydroxy-4,4,8-trimethyl-3-oxo-21,24-epoxycholesta-1,14-dien-7-yl acetate | C32H48O7

(5α,7α,13α,17α,20S,23R)-23,24,25-Trihydroxy-4,4,8-trimethyl-3-oxo-21,24-epoxycholesta-1,14-dien-7-yl acetate

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID25051116

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(5α,7α,13α,17α,20S,23R)-23,24,25-Trihydroxy-4,4,8-trimethyl-3-oxo-21,24-epoxycholesta-1,14-dien-7-yl acetate [ACD/IUPAC Name]
(5α,7α,13α,17α,20S,23R)-23,24,25-Trihydroxy-4,4,8-trimethyl-3-oxo-21,24-epoxycholesta-1,14-dien-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,7α,13α,17α,20S,23R)-23,24,25-trihydroxy-4,4,8-triméthyl-3-oxo-21,24-époxycholesta-1,14-dién-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 640.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±6.0 kJ/mol
Flash Point: 197.8±25.0 °C
Index of Refraction: 1.575
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 987.89
ACD/KOC (pH 5.5): 4844.10
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 987.89
ACD/KOC (pH 7.4): 4844.08
Polar Surface Area: 113 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 447.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement