ChemSpider 2D Image | 3,20,22-Trihydroxy-26-oxo-26,28-epoxyergost-5-en-1-yl acetate | C30H46O7

3,20,22-Trihydroxy-26-oxo-26,28-epoxyergost-5-en-1-yl acetate

  • Molecular FormulaC30H46O7
  • Average mass518.682 Da
  • Monoisotopic mass518.324341 Da
  • ChemSpider ID383491

More details:






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

3,20,22-Trihydroxy-26-oxo-26,28-epoxyergost-5-en-1-yl acetate [ACD/IUPAC Name]
3,20,22-Trihydroxy-26-oxo-26,28-epoxyergost-5-en-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 3,20,22-trihydroxy-26-oxo-26,28-époxyergost-5-én-1-yle [French] [ACD/IUPAC Name]
Ergost-5-en-26-one, 1-(acetyloxy)-26,28-epoxy-3,20,22-trihydroxy- [ACD/Index Name]
PERULACTONE

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

NSC334388 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±6.0 kJ/mol
Flash Point: 215.1±22.2 °C
Index of Refraction: 1.569
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.44
ACD/KOC (pH 5.5): 1048.38
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.44
ACD/KOC (pH 7.4): 1048.38
Polar Surface Area: 113 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 422.7±5.0 cm3

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