Found 1 result

Search term: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4[C@@]3(C[C@@H]([C@@H](C4)OC(=O)C)OC(=O)C)C)C)[C@@H](CCC(C)C)O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | alfredensterol | C31H48O6

alfredensterol

  • Molecular FormulaC31H48O6
  • Average mass516.709 Da
  • Monoisotopic mass516.345093 Da
  • ChemSpider ID61708454

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3β,5α,22R)-22-Hydroxy-6-oxocholest-7-en-2,3-diyl-diacetat [German] [ACD/IUPAC Name]
(2β,3β,5α,22R)-22-Hydroxy-6-oxocholest-7-ene-2,3-diyl diacetate [ACD/IUPAC Name]
alfredensterol
Cholest-7-en-6-one, 2,3-bis(acetyloxy)-22-hydroxy-, (2β,3β,5α,22R)- [ACD/Index Name]
Diacétate de (2β,3β,5α,22R)-22-hydroxy-6-oxocholest-7-ène-2,3-diyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 183.3±23.6 °C
Index of Refraction: 1.532
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7945.56
ACD/KOC (pH 5.5): 21542.68
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7945.56
ACD/KOC (pH 7.4): 21542.68
Polar Surface Area: 90 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 459.5±5.0 cm3

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