ChemSpider 2D Image | (5alpha,7alpha,13alpha,17alpha,20S,21R,23R,24S)-21-Acetoxy-4,4,8-trimethyl-3-oxo-21,23:24,25-diepoxycholesta-1,14-dien-7-yl acetate | C34H48O7

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

  • Molecular FormulaC34H48O7
  • Average mass568.741 Da
  • Monoisotopic mass568.340027 Da
  • ChemSpider ID8206460
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 614.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 253.7±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4333.65
ACD/KOC (pH 5.5): 13958.96
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4333.65
ACD/KOC (pH 7.4): 13958.96
Polar Surface Area: 91 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 478.6±5.0 cm3

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