ChemSpider 2D Image | (3alpha,5alpha,17alpha,22R,23S)-3-Hydroxy-23-methyl-17,20-epoxyergostane-22,25-diyl diacetate | C33H54O6

(3α,5α,17α,22R,23S)-3-Hydroxy-23-methyl-17,20-epoxyergostane-22,25-diyl diacetate

  • Molecular FormulaC33H54O6
  • Average mass546.778 Da
  • Monoisotopic mass546.392029 Da
  • ChemSpider ID8522892

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3α,5α,17α,22R,23S)-3-Hydroxy-23-methyl-17,20-epoxyergostan-22,25-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,5α,17α,22R,23S)-3-Hydroxy-23-methyl-17,20-epoxyergostane-22,25-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3α,5α,17α,22R,23S)-3-hydroxy-23-méthyl-17,20-époxyergostane-22,25-diyle [French] [ACD/IUPAC Name]
Ergostane-3,22,25-triol, 17,20-epoxy-23-methyl-, 22,25-diacetate, (3α,5α,17α,22R,23S)- [ACD/Index Name]
hippuristerol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 607.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 182.2±19.4 °C
Index of Refraction: 1.531
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 56013.28
ACD/KOC (pH 5.5): 87178.27
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 56013.28
ACD/KOC (pH 7.4): 87178.27
Polar Surface Area: 85 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 489.4±5.0 cm3

Click to predict properties on the Chemicalize site


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