ChemSpider 2D Image | (3beta,8xi,9xi,12beta)-3-Hydroxy-4,4,14-trimethyl-18-norcholesta-13(17),24-diene-12-carboxylic acid | C30H48O3

(3β,8ξ,9ξ,12β)-3-Hydroxy-4,4,14-trimethyl-18-norcholesta-13(17),24-diene-12-carboxylic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID28283468

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,8ξ,9ξ,12β)-3-Hydroxy-4,4,14-trimethyl-18-norcholesta-13(17),24-dien-12-carbonsäure [German] [ACD/IUPAC Name]
(3β,8ξ,9ξ,12β)-3-Hydroxy-4,4,14-trimethyl-18-norcholesta-13(17),24-diene-12-carboxylic acid [ACD/IUPAC Name]
Acide (3β,8ξ,9ξ,12β)-3-hydroxy-4,4,14-triméthyl-18-norcholesta-13(17),24-diène-12-carboxylique [French] [ACD/IUPAC Name]
Gon-13(17)-ene-12-carboxylic acid, 17-[(1R)-1,5-dimethyl-4-hexen-1-yl]-3-hydroxy-4,4,10,14-tetramethyl-, (3β,8ξ,9ξ,12β)- [ACD/Index Name]
fornicatin C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 563.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 308.7±26.6 °C
Index of Refraction: 1.545
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.15
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 132011.33
ACD/KOC (pH 5.5): 83857.43
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 2074.96
ACD/KOC (pH 7.4): 1318.08
Polar Surface Area: 58 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 426.7±5.0 cm3

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