ChemSpider 2D Image | (3beta,17xi,20xi,23R)-3-Hydroxy-24-methyl-21,23-epoxylanosta-8,24-dien-21-one | C31H48O3

(3β,17ξ,20ξ,23R)-3-Hydroxy-24-methyl-21,23-epoxylanosta-8,24-dien-21-one

  • Molecular FormulaC31H48O3
  • Average mass468.711 Da
  • Monoisotopic mass468.360352 Da
  • ChemSpider ID78441031

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,17ξ,20ξ,23R)-3-Hydroxy-24-methyl-21,23-epoxylanosta-8,24-dien-21-on [German] [ACD/IUPAC Name]
(3β,17ξ,20ξ,23R)-3-Hydroxy-24-methyl-21,23-epoxylanosta-8,24-dien-21-one [ACD/IUPAC Name]
(3β,17ξ,20ξ,23R)-3-Hydroxy-24-méthyl-21,23-époxylanosta-8,24-dién-21-one [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-21-one, 21,23-epoxy-3-hydroxy-24-methyl-, (3β,17ξ,20ξ,23R)- [ACD/Index Name]
Inonotusol F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 574.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.9±6.0 kJ/mol
Flash Point: 214.3±22.9 °C
Index of Refraction: 1.549
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 621079.38
ACD/KOC (pH 5.5): 487871.41
ACD/LogD (pH 7.4): 7.93
ACD/BCF (pH 7.4): 621079.38
ACD/KOC (pH 7.4): 487871.41
Polar Surface Area: 47 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 432.4±5.0 cm3

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