ChemSpider 2D Image | Eichlerianic acid | C29H48O4

Eichlerianic acid

  • Molecular FormulaC29H48O4
  • Average mass460.689 Da
  • Monoisotopic mass460.355255 Da
  • ChemSpider ID52563871

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

1H-Benz[e]indene-6-propanoic acid, dodecahydro-6,9b-dimethyl-7-(1-methylethenyl)-3-[(2S,5S)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-, (3S,3aR,5aS,6R,9aR,9bR)- [ACD/Index Name]
3-{(3S,3aR,5aS,6R,9aR,9bR)-3-[(2S,5S)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-7-isopropenyl-6,9b-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl}propanoic acid [ACD/IUPAC Name]
3-{(3S,3aR,5aS,6R,9aR,9bR)-3-[(2S,5S)-5-(2-Hydroxy-2-propanyl)-2-methyltetrahydro-2-furanyl]-7-isopropenyl-6,9b-dimethyldodecahydro-1H-cyclopenta[a]naphthalin-6-yl}propansäure [German] [ACD/IUPAC Name]
56421-13-7 [RN]
Acide 3-{(3S,3aR,5aS,6R,9aR,9bR)-3-[(2S,5S)-5-(2-hydroxy-2-propanyl)-2-méthyltétrahydro-2-furanyl]-7-isopropényl-6,9b-diméthyldodécahydro-1H-cyclopenta[a]naphtalén-6-yl}propanoïque [French] [ACD/IUPAC Name]
Eichlerianic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 566.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 176.2±22.2 °C
Index of Refraction: 1.513
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 19291.27
ACD/KOC (pH 5.5): 23660.76
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 307.39
ACD/KOC (pH 7.4): 377.01
Polar Surface Area: 67 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 439.1±3.0 cm3

Click to predict properties on the Chemicalize site


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