ChemSpider 2D Image | (1beta,3alpha,12beta,23S,24S,25S)-1,3-Dihydroxy-24-methyl-12,23:23,26-diepoxylanostane-15,26-dione | C31H48O6

(1β,3α,12β,23S,24S,25S)-1,3-Dihydroxy-24-methyl-12,23:23,26-diepoxylanostane-15,26-dione

  • Molecular FormulaC31H48O6
  • Average mass516.709 Da
  • Monoisotopic mass516.345093 Da
  • ChemSpider ID78438105

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1β,3α,12β,23S,24S,25S)-1,3-Dihydroxy-24-methyl-12,23:23,26-diepoxylanostan-15,26-dion [German] [ACD/IUPAC Name]
(1β,3α,12β,23S,24S,25S)-1,3-Dihydroxy-24-methyl-12,23:23,26-diepoxylanostane-15,26-dione [ACD/IUPAC Name]
(1β,3α,12β,23S,24S,25S)-1,3-Dihydroxy-24-méthyl-12,23:23,26-diépoxylanostane-15,26-dione [French] [ACD/IUPAC Name]
Lanostane-15,26-dione, 12,23:23,26-diepoxy-1,3-dihydroxy-24-methyl-, (1β,3α,12β,23S,24S,25S)- [ACD/Index Name]
Fomefficinol B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 636.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±6.0 kJ/mol
Flash Point: 200.4±25.0 °C
Index of Refraction: 1.563
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.77
ACD/KOC (pH 5.5): 1542.86
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.77
ACD/KOC (pH 7.4): 1542.86
Polar Surface Area: 93 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 431.0±5.0 cm3

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