ChemSpider 2D Image | (5alpha,17alpha,22R,23S)-22,26-Diacetoxy-25-hydroxy-23-methyl-17,20-epoxyergostan-3-one | C33H52O7

(5α,17α,22R,23S)-22,26-Diacetoxy-25-hydroxy-23-methyl-17,20-epoxyergostan-3-one

  • Molecular FormulaC33H52O7
  • Average mass560.762 Da
  • Monoisotopic mass560.371277 Da
  • ChemSpider ID9874431

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(5α,17α,22R,23S)-22,26-Diacetoxy-25-hydroxy-23-methyl-17,20-epoxyergostan-3-on [German] [ACD/IUPAC Name]
(5α,17α,22R,23S)-22,26-Diacetoxy-25-hydroxy-23-methyl-17,20-epoxyergostan-3-one [ACD/IUPAC Name]
(5α,17α,22R,23S)-22,26-Diacétoxy-25-hydroxy-23-méthyl-17,20-époxyergostan-3-one [French] [ACD/IUPAC Name]
Ergostan-3-one, 22,26-bis(acetyloxy)-17,20-epoxy-25-hydroxy-23-methyl-, (5α,17α,22R,23S)- [ACD/Index Name]
hippuristerone K

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 194.2±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3018.61
ACD/KOC (pH 5.5): 10775.59
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3018.61
ACD/KOC (pH 7.4): 10775.59
Polar Surface Area: 102 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 485.6±5.0 cm3

Click to predict properties on the Chemicalize site


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