ChemSpider 2D Image | hippuristerone C | C35H54O8

hippuristerone C

  • Molecular FormulaC35H54O8
  • Average mass602.799 Da
  • Monoisotopic mass602.381897 Da
  • ChemSpider ID10273623

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(5α,16β,17α,22R,23S)-23-Methyl-3-oxo-17,20-epoxyergostan-16,22,25-triyl-triacetat [German] [ACD/IUPAC Name]
(5α,16β,17α,22R,23S)-23-Methyl-3-oxo-17,20-epoxyergostane-16,22,25-triyl triacetate [ACD/IUPAC Name]
Ergostan-3-one, 16,22,25-tris(acetyloxy)-17,20-epoxy-23-methyl-, (5α,16β,17α,22R,23S)- [ACD/Index Name]
hippuristerone C
Triacétate de (5α,16β,17α,22R,23S)-23-méthyl-3-oxo-17,20-époxyergostane-16,22,25-triyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 263.1±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11417.87
ACD/KOC (pH 5.5): 27925.97
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11417.87
ACD/KOC (pH 7.4): 27925.97
Polar Surface Area: 109 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 523.7±5.0 cm3

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