ChemSpider 2D Image | hippuristerone H | C31H50O6

hippuristerone H

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID9126645
  • 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)-16,25-Dihydroxy-23-methyl-3-oxo-17,20-epoxyergostan-22-yl acetate [ACD/IUPAC Name]
(5α,16β,17α,22R,23S)-16,25-Dihydroxy-23-methyl-3-oxo-17,20-epoxyergostan-22-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,16β,17α,22R,23S)-16,25-dihydroxy-23-méthyl-3-oxo-17,20-époxyergostan-22-yle [French] [ACD/IUPAC Name]
Ergostan-3-one, 22-(acetyloxy)-17,20-epoxy-16,25-dihydroxy-23-methyl-, (5α,16β,17α,22R,23S)- [ACD/Index Name]
hippuristerone H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 621.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 192.8±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1160.51
ACD/KOC (pH 5.5): 5435.95
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1160.51
ACD/KOC (pH 7.4): 5435.95
Polar Surface Area: 96 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 448.6±5.0 cm3

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