ChemSpider 2D Image | Alisol B | C28H44O4

Alisol B

  • Molecular FormulaC28H44O4
  • Average mass444.647 Da
  • Monoisotopic mass444.323975 Da
  • ChemSpider ID32819136

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5α,8α,9β,11β,14β,23S,24S)-11,23-Dihydroxy-8,14-dimethyl-24,25-epoxy-18-norcholest-13(17)-en-3-on [German] [ACD/IUPAC Name]
(5α,8α,9β,11β,14β,23S,24S)-11,23-Dihydroxy-8,14-dimethyl-24,25-epoxy-18-norcholest-13(17)-en-3-one [ACD/IUPAC Name]
(5α,8α,9β,11β,14β,23S,24S)-11,23-Dihydroxy-8,14-diméthyl-24,25-époxy-18-norcholest-13(17)-én-3-one [French] [ACD/IUPAC Name]
18649-93-9 [RN]
Alisol B
Gon-13(17)-en-3-one, 17-[(1R,3S)-3-[(2S)-3,3-dimethyloxiranyl]-3-hydroxy-1-methylpropyl]-11-hydroxy-8,10,14-trimethyl-, (5α,8α,9β,11β,14β)- [ACD/Index Name]
[18649-93-9] [RN]
MFCD24369682 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 181.2±23.6 °C
Index of Refraction: 1.560
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2539.03
ACD/KOC (pH 5.5): 9520.45
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2539.03
ACD/KOC (pH 7.4): 9520.45
Polar Surface Area: 70 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 388.9±5.0 cm3

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