ChemSpider 2D Image | (4S,9beta,22R,24R)-25-Hydroxy-9,10,14-trimethyl-1-oxo-4,9-cyclo-9,10-secocholest-5-ene-22,24-diyl diacetate | C34H54O6

(4S,9β,22R,24R)-25-Hydroxy-9,10,14-trimethyl-1-oxo-4,9-cyclo-9,10-secocholest-5-ene-22,24-diyl diacetate

  • Molecular FormulaC34H54O6
  • Average mass558.789 Da
  • Monoisotopic mass558.392029 Da
  • ChemSpider ID17257447

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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(4S,9β,22R,24R)-25-Hydroxy-9,10,14-trimethyl-1-oxo-4,9-cyclo-9,10-secocholest-5-en-22,24-diyl-diacetat [German] [ACD/IUPAC Name]
(4S,9β,22R,24R)-25-Hydroxy-9,10,14-trimethyl-1-oxo-4,9-cyclo-9,10-secocholest-5-ene-22,24-diyl diacetate [ACD/IUPAC Name]
Diacétate de (4S,9β,22R,24R)-25-hydroxy-9,10,14-triméthyl-1-oxo-4,9-cyclo-9,10-sécocholest-5-ène-22,24-diyle [French] [ACD/IUPAC Name]
Estr-5-en-3-one, 17-[(1S,2R,4R)-2,4-bis(acetyloxy)-5-hydroxy-1,5-dimethylhexyl]-4,4,9,14-tetramethyl-, (9β,10α,17β)- [ACD/Index Name]
18-deoxyleucopaxillone A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 622.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 185.0±22.2 °C
Index of Refraction: 1.529
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 98136.02
ACD/KOC (pH 5.5): 130235.65
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 98136.02
ACD/KOC (pH 7.4): 130235.65
Polar Surface Area: 90 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 507.0±5.0 cm3

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