ChemSpider 2D Image | (3alpha,12beta,13alpha,14beta,17alpha,20R,22S)-3,12,22-Trihydroxylanosta-7,24-dien-23-one | C30H48O4

(3α,12β,13α,14β,17α,20R,22S)-3,12,22-Trihydroxylanosta-7,24-dien-23-one

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID30824229

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,12β,13α,14β,17α,20R,22S)-3,12,22-Trihydroxylanosta-7,24-dien-23-on [German] [ACD/IUPAC Name]
(3α,12β,13α,14β,17α,20R,22S)-3,12,22-Trihydroxylanosta-7,24-dien-23-one [ACD/IUPAC Name]
(3α,12β,13α,14β,17α,20R,22S)-3,12,22-Trihydroxylanosta-7,24-dién-23-one [French] [ACD/IUPAC Name]
Lanosta-7,24-dien-23-one, 3,12,22-trihydroxy-, (3α,12β,13α,14β,17α,20R,22S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 584.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 321.6±26.6 °C
Index of Refraction: 1.556
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12006.40
ACD/KOC (pH 5.5): 28948.94
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12006.38
ACD/KOC (pH 7.4): 28948.88
Polar Surface Area: 78 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 425.1±5.0 cm3

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