ChemSpider 2D Image | (4S,9beta,22R,24R)-18,25-Dihydroxy-9,10,14-trimethyl-1-oxo-4,9-cyclo-9,10-secocholest-5-ene-22,24-diyl diacetate | C34H54O7

(4S,9β,22R,24R)-18,25-Dihydroxy-9,10,14-trimethyl-1-oxo-4,9-cyclo-9,10-secocholest-5-ene-22,24-diyl diacetate

  • Molecular FormulaC34H54O7
  • Average mass574.788 Da
  • Monoisotopic mass574.386963 Da
  • ChemSpider ID10179894

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4S,9β,22R,24R)-18,25-Dihydroxy-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)-18,25-Dihydroxy-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)-18,25-dihydroxy-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]-18-hydroxy-4,4,9,14-tetramethyl-, (9β,10α,17β)- [ACD/Index Name]
leucopaxillone A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 654.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 196.5±22.2 °C
Index of Refraction: 1.538
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10045.16
ACD/KOC (pH 5.5): 25479.47
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10045.16
ACD/KOC (pH 7.4): 25479.47
Polar Surface Area: 110 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 504.2±5.0 cm3

Click to predict properties on the Chemicalize site


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