ChemSpider 2D Image | (5alpha,7alpha,13alpha,17alpha,20S,21S,23R,24S)-21-Methoxy-4,4,8-trimethyl-3-oxo-21,23:24,25-diepoxycholesta-1,14-dien-7-yl acetate | C33H48O6

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

  • Molecular FormulaC33H48O6
  • Average mass540.731 Da
  • Monoisotopic mass540.345093 Da
  • ChemSpider ID8590365

  • 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,21S,23R,24S)-21-Methoxy-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,21S,23R,24S)-21-Methoxy-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,21S,23R,24S)-21-méthoxy-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, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 593.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 246.0±30.2 °C
Index of Refraction: 1.554
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3279.74
ACD/KOC (pH 5.5): 11434.90
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3279.74
ACD/KOC (pH 7.4): 11434.90
Polar Surface Area: 74 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 465.8±5.0 cm3

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